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Drugs as habitable planets in the space of dark chemical matter

Item Type:Review
Title:Drugs as habitable planets in the space of dark chemical matter
Creators Name:Siramshetty, V.B. and Preissner, R.
Abstract:A recent study demonstrated antifungal activity of dark chemical matter (DCM) compounds that were otherwise inactive in more than 100 HTS assays. These compounds were proposed to possess unique activity and 'clean' safety profiles. Here, we present an outlook of the promiscuity and safety of these compounds by retrospectively comparing their chemical and biological spaces with those of drugs. Significant amounts of marketed drugs (16%), withdrawn drugs (16.5%) and natural compounds (3.5%) share structural identity with DCM. Compound promiscuity assessment indicates that dark matter compounds could potentially interact with multiple biological targets. Further, thousands of DCM compounds showed presence of frequent-hitting pan-assay interference compound (PAINS) substructures. In light of these observations, filtering these compounds from screening libraries can be an irrevocable loss.
Keywords:Antifungal Agents, Biological Products, Drug Discovery, High-Throughput Screening Assays
Source:Drug Discovery Today
Page Range:481-486
Date:March 2018
Official Publication:https://doi.org/10.1016/j.drudis.2017.07.003
PubMed:View item in PubMed

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