Articles with "reverse docking" as a keyword



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Synthesis, in vitro antibacterial activity against Mycobacterium tuberculosis, and reverse docking‐based target fishing of 1,4‐benzoxazin‐2‐one derivatives

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Published in 2021 at "Archiv der Pharmazie"

DOI: 10.1002/ardp.202000199

Abstract: Seventeen 1,4‐benzoxazin‐2‐ones bearing the enaminone moiety and three of their analogs were tested for the antibacterial activity against Mycobacterium tuberculosis (H37Rv). Minimal bactericidal concentrations (MBCs) were determined after 41 days of incubation by BACTEC. 1,4‐Benzoxazin‐2‐ones… read more here.

Keywords: antibacterial activity; tuberculosis; activity mycobacterium; reverse docking ... See more keywords
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CRDS: Consensus Reverse Docking System for target fishing

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Published in 2020 at "Bioinformatics"

DOI: 10.1093/bioinformatics/btz656

Abstract: MOTIVATION Identification of putative drug targets is a critical step for explaining the mechanism of drug action against multiple targets, finding new therapeutic indications for existing drugs, and unveiling the adverse drug reactions. One important… read more here.

Keywords: docking system; consensus reverse; consensus; drug ... See more keywords