Abstract:
:The use of computational filters for excluding supposedly nonspecific and promiscuous compounds from chemical libraries is a controversial issue, because many drugs used in clinics today would never reach the market if these filters were applied. In part, this conflict could be caused by the paradigm: one-drug-one-target, even though it is widely agreed that drug action is a result of a complex network of biomolecular interactions. Therefore, the so-called pan assay interference compounds (PAINS) or promiscuous compounds could be in fact assay artifacts, false positives or, simply, bright chemical matter (BCM) composed of privileged scaffolds, as we propose here. Despite apparent promiscuity, BCM can be tailored into new and safe drugs after overcoming selectivity criteria.
journal_name
Drug Discov Todayjournal_title
Drug discovery todayauthors
Senger MR,Fraga CA,Dantas RF,Silva FP Jrdoi
10.1016/j.drudis.2016.02.004subject
Has Abstractpub_date
2016-06-01 00:00:00pages
868-72issue
6eissn
1359-6446issn
1878-5832pii
S1359-6446(16)30030-7journal_volume
21pub_type
杂志文章abstract::The successful cloning and subsequent clinical application of recombinant cytokines and/or growth factors has generated a number of important therapeutics. In contrast to the G-protein-coupled receptors, identification of small-molecule agonists of the cytokine and/or growth factor receptor family has proved difficult...
journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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doi:10.1016/j.drudis.2011.09.011
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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journal_title:Drug discovery today
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