Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics
The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small...
Ausführliche Beschreibung
Autor*in: |
Vigneshwaran Namasivayam [verfasserIn] Katja Stefan [verfasserIn] Jens Pahnke [verfasserIn] Sven Marcel Stefan [verfasserIn] |
---|
Format: |
E-Artikel |
---|---|
Sprache: |
Englisch |
Erschienen: |
2021 |
---|
Schlagwörter: |
ABC transporter (ABCA1, ABCA4, ABCA7) |
---|
Übergeordnetes Werk: |
In: Computational and Structural Biotechnology Journal - Elsevier, 2013, 19(2021), Seite 6490-6504 |
---|---|
Übergeordnetes Werk: |
volume:19 ; year:2021 ; pages:6490-6504 |
Links: |
---|
DOI / URN: |
10.1016/j.csbj.2021.11.035 |
---|
Katalog-ID: |
DOAJ019080743 |
---|
LEADER | 01000caa a22002652 4500 | ||
---|---|---|---|
001 | DOAJ019080743 | ||
003 | DE-627 | ||
005 | 20230310104343.0 | ||
007 | cr uuu---uuuuu | ||
008 | 230226s2021 xx |||||o 00| ||eng c | ||
024 | 7 | |a 10.1016/j.csbj.2021.11.035 |2 doi | |
035 | |a (DE-627)DOAJ019080743 | ||
035 | |a (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 | ||
040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
041 | |a eng | ||
050 | 0 | |a TP248.13-248.65 | |
100 | 0 | |a Vigneshwaran Namasivayam |e verfasserin |4 aut | |
245 | 1 | 0 | |a Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
264 | 1 | |c 2021 | |
336 | |a Text |b txt |2 rdacontent | ||
337 | |a Computermedien |b c |2 rdamedia | ||
338 | |a Online-Ressource |b cr |2 rdacarrier | ||
520 | |a The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. | ||
650 | 4 | |a ABC transporter (ABCA1, ABCA4, ABCA7) | |
650 | 4 | |a Alzheimer’s disease (AD) | |
650 | 4 | |a Multitarget modulation (PANABC) | |
650 | 4 | |a PET tracer (PETABC) | |
650 | 4 | |a Polypharmacology | |
650 | 4 | |a Rational drug design and development | |
653 | 0 | |a Biotechnology | |
700 | 0 | |a Katja Stefan |e verfasserin |4 aut | |
700 | 0 | |a Jens Pahnke |e verfasserin |4 aut | |
700 | 0 | |a Sven Marcel Stefan |e verfasserin |4 aut | |
773 | 0 | 8 | |i In |t Computational and Structural Biotechnology Journal |d Elsevier, 2013 |g 19(2021), Seite 6490-6504 |w (DE-627)731890086 |w (DE-600)2694435-2 |x 20010370 |7 nnns |
773 | 1 | 8 | |g volume:19 |g year:2021 |g pages:6490-6504 |
856 | 4 | 0 | |u https://doi.org/10.1016/j.csbj.2021.11.035 |z kostenfrei |
856 | 4 | 0 | |u https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 |z kostenfrei |
856 | 4 | 0 | |u http://www.sciencedirect.com/science/article/pii/S2001037021005006 |z kostenfrei |
856 | 4 | 2 | |u https://doaj.org/toc/2001-0370 |y Journal toc |z kostenfrei |
912 | |a GBV_USEFLAG_A | ||
912 | |a SYSFLAG_A | ||
912 | |a GBV_DOAJ | ||
912 | |a GBV_ILN_20 | ||
912 | |a GBV_ILN_22 | ||
912 | |a GBV_ILN_23 | ||
912 | |a GBV_ILN_24 | ||
912 | |a GBV_ILN_39 | ||
912 | |a GBV_ILN_40 | ||
912 | |a GBV_ILN_62 | ||
912 | |a GBV_ILN_63 | ||
912 | |a GBV_ILN_65 | ||
912 | |a GBV_ILN_69 | ||
912 | |a GBV_ILN_70 | ||
912 | |a GBV_ILN_73 | ||
912 | |a GBV_ILN_74 | ||
912 | |a GBV_ILN_95 | ||
912 | |a GBV_ILN_105 | ||
912 | |a GBV_ILN_110 | ||
912 | |a GBV_ILN_151 | ||
912 | |a GBV_ILN_161 | ||
912 | |a GBV_ILN_170 | ||
912 | |a GBV_ILN_213 | ||
912 | |a GBV_ILN_230 | ||
912 | |a GBV_ILN_285 | ||
912 | |a GBV_ILN_293 | ||
912 | |a GBV_ILN_602 | ||
912 | |a GBV_ILN_2014 | ||
912 | |a GBV_ILN_4012 | ||
912 | |a GBV_ILN_4037 | ||
912 | |a GBV_ILN_4112 | ||
912 | |a GBV_ILN_4125 | ||
912 | |a GBV_ILN_4126 | ||
912 | |a GBV_ILN_4249 | ||
912 | |a GBV_ILN_4305 | ||
912 | |a GBV_ILN_4306 | ||
912 | |a GBV_ILN_4307 | ||
912 | |a GBV_ILN_4313 | ||
912 | |a GBV_ILN_4322 | ||
912 | |a GBV_ILN_4323 | ||
912 | |a GBV_ILN_4324 | ||
912 | |a GBV_ILN_4325 | ||
912 | |a GBV_ILN_4338 | ||
912 | |a GBV_ILN_4367 | ||
912 | |a GBV_ILN_4700 | ||
951 | |a AR | ||
952 | |d 19 |j 2021 |h 6490-6504 |
author_variant |
v n vn k s ks j p jp s m s sms |
---|---|
matchkey_str |
article:20010370:2021----::idnmdaayioac7oterdcinfoeazem |
hierarchy_sort_str |
2021 |
callnumber-subject-code |
TP |
publishDate |
2021 |
allfields |
10.1016/j.csbj.2021.11.035 doi (DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 DE-627 ger DE-627 rakwb eng TP248.13-248.65 Vigneshwaran Namasivayam verfasserin aut Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology Katja Stefan verfasserin aut Jens Pahnke verfasserin aut Sven Marcel Stefan verfasserin aut In Computational and Structural Biotechnology Journal Elsevier, 2013 19(2021), Seite 6490-6504 (DE-627)731890086 (DE-600)2694435-2 20010370 nnns volume:19 year:2021 pages:6490-6504 https://doi.org/10.1016/j.csbj.2021.11.035 kostenfrei https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 kostenfrei http://www.sciencedirect.com/science/article/pii/S2001037021005006 kostenfrei https://doaj.org/toc/2001-0370 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 19 2021 6490-6504 |
spelling |
10.1016/j.csbj.2021.11.035 doi (DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 DE-627 ger DE-627 rakwb eng TP248.13-248.65 Vigneshwaran Namasivayam verfasserin aut Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology Katja Stefan verfasserin aut Jens Pahnke verfasserin aut Sven Marcel Stefan verfasserin aut In Computational and Structural Biotechnology Journal Elsevier, 2013 19(2021), Seite 6490-6504 (DE-627)731890086 (DE-600)2694435-2 20010370 nnns volume:19 year:2021 pages:6490-6504 https://doi.org/10.1016/j.csbj.2021.11.035 kostenfrei https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 kostenfrei http://www.sciencedirect.com/science/article/pii/S2001037021005006 kostenfrei https://doaj.org/toc/2001-0370 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 19 2021 6490-6504 |
allfields_unstemmed |
10.1016/j.csbj.2021.11.035 doi (DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 DE-627 ger DE-627 rakwb eng TP248.13-248.65 Vigneshwaran Namasivayam verfasserin aut Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology Katja Stefan verfasserin aut Jens Pahnke verfasserin aut Sven Marcel Stefan verfasserin aut In Computational and Structural Biotechnology Journal Elsevier, 2013 19(2021), Seite 6490-6504 (DE-627)731890086 (DE-600)2694435-2 20010370 nnns volume:19 year:2021 pages:6490-6504 https://doi.org/10.1016/j.csbj.2021.11.035 kostenfrei https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 kostenfrei http://www.sciencedirect.com/science/article/pii/S2001037021005006 kostenfrei https://doaj.org/toc/2001-0370 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 19 2021 6490-6504 |
allfieldsGer |
10.1016/j.csbj.2021.11.035 doi (DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 DE-627 ger DE-627 rakwb eng TP248.13-248.65 Vigneshwaran Namasivayam verfasserin aut Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology Katja Stefan verfasserin aut Jens Pahnke verfasserin aut Sven Marcel Stefan verfasserin aut In Computational and Structural Biotechnology Journal Elsevier, 2013 19(2021), Seite 6490-6504 (DE-627)731890086 (DE-600)2694435-2 20010370 nnns volume:19 year:2021 pages:6490-6504 https://doi.org/10.1016/j.csbj.2021.11.035 kostenfrei https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 kostenfrei http://www.sciencedirect.com/science/article/pii/S2001037021005006 kostenfrei https://doaj.org/toc/2001-0370 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 19 2021 6490-6504 |
allfieldsSound |
10.1016/j.csbj.2021.11.035 doi (DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 DE-627 ger DE-627 rakwb eng TP248.13-248.65 Vigneshwaran Namasivayam verfasserin aut Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics 2021 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology Katja Stefan verfasserin aut Jens Pahnke verfasserin aut Sven Marcel Stefan verfasserin aut In Computational and Structural Biotechnology Journal Elsevier, 2013 19(2021), Seite 6490-6504 (DE-627)731890086 (DE-600)2694435-2 20010370 nnns volume:19 year:2021 pages:6490-6504 https://doi.org/10.1016/j.csbj.2021.11.035 kostenfrei https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 kostenfrei http://www.sciencedirect.com/science/article/pii/S2001037021005006 kostenfrei https://doaj.org/toc/2001-0370 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 19 2021 6490-6504 |
language |
English |
source |
In Computational and Structural Biotechnology Journal 19(2021), Seite 6490-6504 volume:19 year:2021 pages:6490-6504 |
sourceStr |
In Computational and Structural Biotechnology Journal 19(2021), Seite 6490-6504 volume:19 year:2021 pages:6490-6504 |
format_phy_str_mv |
Article |
institution |
findex.gbv.de |
topic_facet |
ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development Biotechnology |
isfreeaccess_bool |
true |
container_title |
Computational and Structural Biotechnology Journal |
authorswithroles_txt_mv |
Vigneshwaran Namasivayam @@aut@@ Katja Stefan @@aut@@ Jens Pahnke @@aut@@ Sven Marcel Stefan @@aut@@ |
publishDateDaySort_date |
2021-01-01T00:00:00Z |
hierarchy_top_id |
731890086 |
id |
DOAJ019080743 |
language_de |
englisch |
fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">DOAJ019080743</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230310104343.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">230226s2021 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.csbj.2021.11.035</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)DOAJ019080743</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">TP248.13-248.65</subfield></datafield><datafield tag="100" ind1="0" ind2=" "><subfield code="a">Vigneshwaran Namasivayam</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2021</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">ABC transporter (ABCA1, ABCA4, ABCA7)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Alzheimer’s disease (AD)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Multitarget modulation (PANABC)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">PET tracer (PETABC)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Polypharmacology</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Rational drug design and development</subfield></datafield><datafield tag="653" ind1=" " ind2="0"><subfield code="a">Biotechnology</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Katja Stefan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Jens Pahnke</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Sven Marcel Stefan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">In</subfield><subfield code="t">Computational and Structural Biotechnology Journal</subfield><subfield code="d">Elsevier, 2013</subfield><subfield code="g">19(2021), Seite 6490-6504</subfield><subfield code="w">(DE-627)731890086</subfield><subfield code="w">(DE-600)2694435-2</subfield><subfield code="x">20010370</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:19</subfield><subfield code="g">year:2021</subfield><subfield code="g">pages:6490-6504</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.csbj.2021.11.035</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">http://www.sciencedirect.com/science/article/pii/S2001037021005006</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">https://doaj.org/toc/2001-0370</subfield><subfield code="y">Journal toc</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_DOAJ</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_20</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_22</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_23</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_24</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_39</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_62</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_63</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_65</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_69</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_73</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_74</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_95</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_105</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_151</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_161</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_170</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_213</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_230</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_285</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_293</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_602</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2014</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4012</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4037</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4125</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4126</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4249</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4305</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4306</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4307</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4313</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4322</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4323</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4324</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4325</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4338</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4367</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4700</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">19</subfield><subfield code="j">2021</subfield><subfield code="h">6490-6504</subfield></datafield></record></collection>
|
callnumber-first |
T - Technology |
author |
Vigneshwaran Namasivayam |
spellingShingle |
Vigneshwaran Namasivayam misc TP248.13-248.65 misc ABC transporter (ABCA1, ABCA4, ABCA7) misc Alzheimer’s disease (AD) misc Multitarget modulation (PANABC) misc PET tracer (PETABC) misc Polypharmacology misc Rational drug design and development misc Biotechnology Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
authorStr |
Vigneshwaran Namasivayam |
ppnlink_with_tag_str_mv |
@@773@@(DE-627)731890086 |
format |
electronic Article |
delete_txt_mv |
keep |
author_role |
aut aut aut aut |
collection |
DOAJ |
remote_str |
true |
callnumber-label |
TP248 |
illustrated |
Not Illustrated |
issn |
20010370 |
topic_title |
TP248.13-248.65 Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics ABC transporter (ABCA1, ABCA4, ABCA7) Alzheimer’s disease (AD) Multitarget modulation (PANABC) PET tracer (PETABC) Polypharmacology Rational drug design and development |
topic |
misc TP248.13-248.65 misc ABC transporter (ABCA1, ABCA4, ABCA7) misc Alzheimer’s disease (AD) misc Multitarget modulation (PANABC) misc PET tracer (PETABC) misc Polypharmacology misc Rational drug design and development misc Biotechnology |
topic_unstemmed |
misc TP248.13-248.65 misc ABC transporter (ABCA1, ABCA4, ABCA7) misc Alzheimer’s disease (AD) misc Multitarget modulation (PANABC) misc PET tracer (PETABC) misc Polypharmacology misc Rational drug design and development misc Biotechnology |
topic_browse |
misc TP248.13-248.65 misc ABC transporter (ABCA1, ABCA4, ABCA7) misc Alzheimer’s disease (AD) misc Multitarget modulation (PANABC) misc PET tracer (PETABC) misc Polypharmacology misc Rational drug design and development misc Biotechnology |
format_facet |
Elektronische Aufsätze Aufsätze Elektronische Ressource |
format_main_str_mv |
Text Zeitschrift/Artikel |
carriertype_str_mv |
cr |
hierarchy_parent_title |
Computational and Structural Biotechnology Journal |
hierarchy_parent_id |
731890086 |
hierarchy_top_title |
Computational and Structural Biotechnology Journal |
isfreeaccess_txt |
true |
familylinks_str_mv |
(DE-627)731890086 (DE-600)2694435-2 |
title |
Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
ctrlnum |
(DE-627)DOAJ019080743 (DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14 |
title_full |
Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
author_sort |
Vigneshwaran Namasivayam |
journal |
Computational and Structural Biotechnology Journal |
journalStr |
Computational and Structural Biotechnology Journal |
callnumber-first-code |
T |
lang_code |
eng |
isOA_bool |
true |
recordtype |
marc |
publishDateSort |
2021 |
contenttype_str_mv |
txt |
container_start_page |
6490 |
author_browse |
Vigneshwaran Namasivayam Katja Stefan Jens Pahnke Sven Marcel Stefan |
container_volume |
19 |
class |
TP248.13-248.65 |
format_se |
Elektronische Aufsätze |
author-letter |
Vigneshwaran Namasivayam |
doi_str_mv |
10.1016/j.csbj.2021.11.035 |
author2-role |
verfasserin |
title_sort |
binding mode analysis of abca7 for the prediction of novel alzheimer's disease therapeutics |
callnumber |
TP248.13-248.65 |
title_auth |
Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
abstract |
The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. |
abstractGer |
The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. |
abstract_unstemmed |
The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD. |
collection_details |
GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 |
title_short |
Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics |
url |
https://doi.org/10.1016/j.csbj.2021.11.035 https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14 http://www.sciencedirect.com/science/article/pii/S2001037021005006 https://doaj.org/toc/2001-0370 |
remote_bool |
true |
author2 |
Katja Stefan Jens Pahnke Sven Marcel Stefan |
author2Str |
Katja Stefan Jens Pahnke Sven Marcel Stefan |
ppnlink |
731890086 |
callnumber-subject |
TP - Chemical Technology |
mediatype_str_mv |
c |
isOA_txt |
true |
hochschulschrift_bool |
false |
doi_str |
10.1016/j.csbj.2021.11.035 |
callnumber-a |
TP248.13-248.65 |
up_date |
2024-07-03T21:40:40.466Z |
_version_ |
1803595641485524992 |
fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">DOAJ019080743</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230310104343.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">230226s2021 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.csbj.2021.11.035</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)DOAJ019080743</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)DOAJc222e50d710e4b9e9d540cec71d79b14</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">TP248.13-248.65</subfield></datafield><datafield tag="100" ind1="0" ind2=" "><subfield code="a">Vigneshwaran Namasivayam</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2021</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The adenosine-triphosphate-(ATP)-binding cassette (ABC) transporter ABCA7 is a genetic risk factor for Alzheimer’s disease (AD). Defective ABCA7 promotes AD development and/or progression. Unfortunately, ABCA7 belongs to the group of ‘under-studied’ ABC transporters that cannot be addressed by small-molecules. However, such small-molecules would allow for the exploration of ABCA7 as pharmacological target for the development of new AD diagnostics and therapeutics. Pan-ABC transporter modulators inherit the potential to explore under-studied ABC transporters as novel pharmacological targets by potentially binding to the proposed ‘multitarget binding site’. Using the recently reported cryogenic-electron microscopy (cryo-EM) structures of ABCA1 and ABCA4, a homology model of ABCA7 has been generated. A set of novel, diverse, and potent pan-ABC transporter inhibitors has been docked to this ABCA7 homology model for the discovery of the multitarget binding site. Subsequently, application of pharmacophore modelling identified the essential pharmacophore features of these compounds that may support the rational drug design of innovative diagnostics and therapeutics against AD.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">ABC transporter (ABCA1, ABCA4, ABCA7)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Alzheimer’s disease (AD)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Multitarget modulation (PANABC)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">PET tracer (PETABC)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Polypharmacology</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Rational drug design and development</subfield></datafield><datafield tag="653" ind1=" " ind2="0"><subfield code="a">Biotechnology</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Katja Stefan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Jens Pahnke</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="0" ind2=" "><subfield code="a">Sven Marcel Stefan</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">In</subfield><subfield code="t">Computational and Structural Biotechnology Journal</subfield><subfield code="d">Elsevier, 2013</subfield><subfield code="g">19(2021), Seite 6490-6504</subfield><subfield code="w">(DE-627)731890086</subfield><subfield code="w">(DE-600)2694435-2</subfield><subfield code="x">20010370</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:19</subfield><subfield code="g">year:2021</subfield><subfield code="g">pages:6490-6504</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.csbj.2021.11.035</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doaj.org/article/c222e50d710e4b9e9d540cec71d79b14</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">http://www.sciencedirect.com/science/article/pii/S2001037021005006</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">https://doaj.org/toc/2001-0370</subfield><subfield code="y">Journal toc</subfield><subfield code="z">kostenfrei</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_DOAJ</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_20</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_22</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_23</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_24</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_39</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_62</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_63</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_65</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_69</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_73</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_74</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_95</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_105</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_151</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_161</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_170</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_213</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_230</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_285</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_293</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_602</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2014</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4012</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4037</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4125</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4126</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4249</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4305</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4306</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4307</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4313</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4322</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4323</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4324</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4325</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4338</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4367</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4700</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">19</subfield><subfield code="j">2021</subfield><subfield code="h">6490-6504</subfield></datafield></record></collection>
|
score |
7.4001293 |