Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining
Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This appro...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Shui, Wenqing [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2011 |
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| Schlagwörter: |
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| Anmerkung: |
© Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 |
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| Übergeordnetes Werk: |
Enthalten in: Protein & cell - Beijing : Higher Education Press, 2010, 2(2011), 8 vom: Aug., Seite 680-688 |
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| Übergeordnetes Werk: |
volume:2 ; year:2011 ; number:8 ; month:08 ; pages:680-688 |
| Links: |
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| DOI / URN: |
10.1007/s13238-011-1086-2 |
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| 520 | |a Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. | ||
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10.1007/s13238-011-1086-2 doi (DE-627)SPR030983657 (SPR)s13238-011-1086-2-e DE-627 ger DE-627 rakwb eng Shui, Wenqing verfasserin aut Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. metabolic stability (dpeaa)DE-He213 high-resolution mass spectrometry (dpeaa)DE-He213 accurate mass (dpeaa)DE-He213 ultra-high performance liquid chromatography (dpeaa)DE-He213 Lin, Song aut Zhang, Allen aut Chen, Yan aut Huang, Yingying aut Sanders, Mark aut Enthalten in Protein & cell Beijing : Higher Education Press, 2010 2(2011), 8 vom: Aug., Seite 680-688 (DE-627)621548308 (DE-600)2543451-2 1674-8018 nnns volume:2 year:2011 number:8 month:08 pages:680-688 https://dx.doi.org/10.1007/s13238-011-1086-2 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 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_702 GBV_ILN_2014 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 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 2 2011 8 08 680-688 |
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10.1007/s13238-011-1086-2 doi (DE-627)SPR030983657 (SPR)s13238-011-1086-2-e DE-627 ger DE-627 rakwb eng Shui, Wenqing verfasserin aut Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. metabolic stability (dpeaa)DE-He213 high-resolution mass spectrometry (dpeaa)DE-He213 accurate mass (dpeaa)DE-He213 ultra-high performance liquid chromatography (dpeaa)DE-He213 Lin, Song aut Zhang, Allen aut Chen, Yan aut Huang, Yingying aut Sanders, Mark aut Enthalten in Protein & cell Beijing : Higher Education Press, 2010 2(2011), 8 vom: Aug., Seite 680-688 (DE-627)621548308 (DE-600)2543451-2 1674-8018 nnns volume:2 year:2011 number:8 month:08 pages:680-688 https://dx.doi.org/10.1007/s13238-011-1086-2 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 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_702 GBV_ILN_2014 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 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 2 2011 8 08 680-688 |
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10.1007/s13238-011-1086-2 doi (DE-627)SPR030983657 (SPR)s13238-011-1086-2-e DE-627 ger DE-627 rakwb eng Shui, Wenqing verfasserin aut Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. metabolic stability (dpeaa)DE-He213 high-resolution mass spectrometry (dpeaa)DE-He213 accurate mass (dpeaa)DE-He213 ultra-high performance liquid chromatography (dpeaa)DE-He213 Lin, Song aut Zhang, Allen aut Chen, Yan aut Huang, Yingying aut Sanders, Mark aut Enthalten in Protein & cell Beijing : Higher Education Press, 2010 2(2011), 8 vom: Aug., Seite 680-688 (DE-627)621548308 (DE-600)2543451-2 1674-8018 nnns volume:2 year:2011 number:8 month:08 pages:680-688 https://dx.doi.org/10.1007/s13238-011-1086-2 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 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_702 GBV_ILN_2014 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 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 2 2011 8 08 680-688 |
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10.1007/s13238-011-1086-2 doi (DE-627)SPR030983657 (SPR)s13238-011-1086-2-e DE-627 ger DE-627 rakwb eng Shui, Wenqing verfasserin aut Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. metabolic stability (dpeaa)DE-He213 high-resolution mass spectrometry (dpeaa)DE-He213 accurate mass (dpeaa)DE-He213 ultra-high performance liquid chromatography (dpeaa)DE-He213 Lin, Song aut Zhang, Allen aut Chen, Yan aut Huang, Yingying aut Sanders, Mark aut Enthalten in Protein & cell Beijing : Higher Education Press, 2010 2(2011), 8 vom: Aug., Seite 680-688 (DE-627)621548308 (DE-600)2543451-2 1674-8018 nnns volume:2 year:2011 number:8 month:08 pages:680-688 https://dx.doi.org/10.1007/s13238-011-1086-2 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 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_702 GBV_ILN_2014 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 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 2 2011 8 08 680-688 |
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10.1007/s13238-011-1086-2 doi (DE-627)SPR030983657 (SPR)s13238-011-1086-2-e DE-627 ger DE-627 rakwb eng Shui, Wenqing verfasserin aut Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. metabolic stability (dpeaa)DE-He213 high-resolution mass spectrometry (dpeaa)DE-He213 accurate mass (dpeaa)DE-He213 ultra-high performance liquid chromatography (dpeaa)DE-He213 Lin, Song aut Zhang, Allen aut Chen, Yan aut Huang, Yingying aut Sanders, Mark aut Enthalten in Protein & cell Beijing : Higher Education Press, 2010 2(2011), 8 vom: Aug., Seite 680-688 (DE-627)621548308 (DE-600)2543451-2 1674-8018 nnns volume:2 year:2011 number:8 month:08 pages:680-688 https://dx.doi.org/10.1007/s13238-011-1086-2 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 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_702 GBV_ILN_2014 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 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 2 2011 8 08 680-688 |
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Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 |
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Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 |
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Abstract Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline. © Higher Education Press and Springer-Verlag Berlin Heidelberg 2011 |
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