Ontology highlight
ABSTRACT:
SUBMITTER: Wang X
PROVIDER: S-EPMC7801736 | biostudies-literature | 2019 Dec
REPOSITORIES: biostudies-literature
Wang Xin X Perryman Alexander L AL Li Shao-Gang SG Paget Steve D SD Stratton Thomas P TP Lemenze Alex A Olson Arthur J AJ Ekins Sean S Kumar Pradeep P Freundlich Joel S JS
ACS infectious diseases 20191105 12
Tuberculosis, caused by <i>Mycobacterium tuberculosis</i> (<i>M. tuberculosis</i>), kills 1.6 million people annually. To bridge the gap between structure- and cell-based drug discovery strategies, we are pioneering a computer-aided discovery paradigm that merges structure-based virtual screening with ligand-based, machine learning methods trained with cell-based data. This approach successfully identified <i>N</i>-(3-methoxyphenyl)-7-nitrobenzo[<i>c</i>][1,2,5]oxadiazol-4-amine (JSF-2164) as an ...[more]