Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]

Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have asses...
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Gespeichert in:

Autor*in:	Ye Hu [verfasserIn] Jürgen Bajorath [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2014

Schlagwörter:	Biomacromolecule-Ligand Interactions Drug Discovery & Design

Übergeordnetes Werk:	In: F1000Research - F1000 Research Ltd, 2013, 3(2014)
Übergeordnetes Werk:	volume:3 ; year:2014

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.12688/f1000research.5250.2

Katalog-ID:	DOAJ03795959X

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allfieldsGer	10.12688/f1000research.5250.2 doi (DE-627)DOAJ03795959X (DE-599)DOAJ9f488ca964a445cb87aa1c1855e76664 DE-627 ger DE-627 rakwb eng Ye Hu verfasserin aut Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa] 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have assessed drug promiscuity over time by systematically collecting activity records for approved drugs. For 518 diverse drugs, promiscuity rates were determined over different time intervals. Significant differences between the number of reported drug targets and the promiscuity rates derived from activity records were frequently observed. On the basis of high-confidence activity data, an increase in average promiscuity rates from 1.5 to 3.2 targets per drug was detected between 2000 and 2014. These promiscuity rates are lower than often assumed. When the stringency of data selection criteria was reduced in subsequent steps, non-realistic increases in promiscuity rates from ~6 targets per drug in 2000 to more than 28 targets were obtained. Hence, estimates of drug promiscuity significantly differ depending on the stringency with which target annotations and activity data are considered. Biomacromolecule-Ligand Interactions Drug Discovery & Design Medicine R Science Q Jürgen Bajorath verfasserin aut In F1000Research F1000 Research Ltd, 2013 3(2014) (DE-627)735133581 (DE-600)2699932-8 20461402 nnns volume:3 year:2014 https://doi.org/10.12688/f1000research.5250.2 kostenfrei https://doaj.org/article/9f488ca964a445cb87aa1c1855e76664 kostenfrei http://f1000research.com/articles/3-218/v2 kostenfrei https://doaj.org/toc/2046-1402 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_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 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_206 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 3 2014
allfieldsSound	10.12688/f1000research.5250.2 doi (DE-627)DOAJ03795959X (DE-599)DOAJ9f488ca964a445cb87aa1c1855e76664 DE-627 ger DE-627 rakwb eng Ye Hu verfasserin aut Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa] 2014 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have assessed drug promiscuity over time by systematically collecting activity records for approved drugs. For 518 diverse drugs, promiscuity rates were determined over different time intervals. Significant differences between the number of reported drug targets and the promiscuity rates derived from activity records were frequently observed. On the basis of high-confidence activity data, an increase in average promiscuity rates from 1.5 to 3.2 targets per drug was detected between 2000 and 2014. These promiscuity rates are lower than often assumed. When the stringency of data selection criteria was reduced in subsequent steps, non-realistic increases in promiscuity rates from ~6 targets per drug in 2000 to more than 28 targets were obtained. Hence, estimates of drug promiscuity significantly differ depending on the stringency with which target annotations and activity data are considered. Biomacromolecule-Ligand Interactions Drug Discovery & Design Medicine R Science Q Jürgen Bajorath verfasserin aut In F1000Research F1000 Research Ltd, 2013 3(2014) (DE-627)735133581 (DE-600)2699932-8 20461402 nnns volume:3 year:2014 https://doi.org/10.12688/f1000research.5250.2 kostenfrei https://doaj.org/article/9f488ca964a445cb87aa1c1855e76664 kostenfrei http://f1000research.com/articles/3-218/v2 kostenfrei https://doaj.org/toc/2046-1402 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_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 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_206 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 3 2014
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author	Ye Hu
spellingShingle	Ye Hu misc Biomacromolecule-Ligand Interactions misc Drug Discovery & Design misc Medicine misc R misc Science misc Q Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
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topic_title	Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa] Biomacromolecule-Ligand Interactions Drug Discovery & Design
topic	misc Biomacromolecule-Ligand Interactions misc Drug Discovery & Design misc Medicine misc R misc Science misc Q
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title	Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
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title_full	Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
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title_sort	monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
title_auth	Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
abstract	Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have assessed drug promiscuity over time by systematically collecting activity records for approved drugs. For 518 diverse drugs, promiscuity rates were determined over different time intervals. Significant differences between the number of reported drug targets and the promiscuity rates derived from activity records were frequently observed. On the basis of high-confidence activity data, an increase in average promiscuity rates from 1.5 to 3.2 targets per drug was detected between 2000 and 2014. These promiscuity rates are lower than often assumed. When the stringency of data selection criteria was reduced in subsequent steps, non-realistic increases in promiscuity rates from ~6 targets per drug in 2000 to more than 28 targets were obtained. Hence, estimates of drug promiscuity significantly differ depending on the stringency with which target annotations and activity data are considered.
abstractGer	Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have assessed drug promiscuity over time by systematically collecting activity records for approved drugs. For 518 diverse drugs, promiscuity rates were determined over different time intervals. Significant differences between the number of reported drug targets and the promiscuity rates derived from activity records were frequently observed. On the basis of high-confidence activity data, an increase in average promiscuity rates from 1.5 to 3.2 targets per drug was detected between 2000 and 2014. These promiscuity rates are lower than often assumed. When the stringency of data selection criteria was reduced in subsequent steps, non-realistic increases in promiscuity rates from ~6 targets per drug in 2000 to more than 28 targets were obtained. Hence, estimates of drug promiscuity significantly differ depending on the stringency with which target annotations and activity data are considered.
abstract_unstemmed	Drug promiscuity and polypharmacology are much discussed topics in pharmaceutical research. Experimentally, promiscuity can be studied by profiling of compounds on arrays of targets. Computationally, promiscuity rates can be estimated by mining of compound activity data. In this study, we have assessed drug promiscuity over time by systematically collecting activity records for approved drugs. For 518 diverse drugs, promiscuity rates were determined over different time intervals. Significant differences between the number of reported drug targets and the promiscuity rates derived from activity records were frequently observed. On the basis of high-confidence activity data, an increase in average promiscuity rates from 1.5 to 3.2 targets per drug was detected between 2000 and 2014. These promiscuity rates are lower than often assumed. When the stringency of data selection criteria was reduced in subsequent steps, non-realistic increases in promiscuity rates from ~6 targets per drug in 2000 to more than 28 targets were obtained. Hence, estimates of drug promiscuity significantly differ depending on the stringency with which target annotations and activity data are considered.
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title_short	Monitoring drug promiscuity over time [v2; ref status: indexed, http://f1000r.es/4oa]
url	https://doi.org/10.12688/f1000research.5250.2 https://doaj.org/article/9f488ca964a445cb87aa1c1855e76664 http://f1000research.com/articles/3-218/v2 https://doaj.org/toc/2046-1402
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up_date	2024-07-03T15:10:09.415Z
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