Discovery of novel new delhi metallo-β-lactamases-1 inhibitors by multistep virtual screening

PLoS ONE

Volumn 10, Issue 3, 2015, Pages

  Wang, Xuequan ^a   Lu, Meiling ^a   Shi, Yang ^a   Ou, Yu ^a   Cheng, Xiaodong ^b  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

^b UNIVERSITY OF TEXAS MEDICAL SCHOOL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMPICILLIN; BETA LACTAMASE INHIBITOR; NEW DELHI METALLO BETA LACTAMASE 1 INHIBITOR; SULFONAMIDE; UNCLASSIFIED DRUG; VNI 24; VNI 34; VNI 41; ZINC ION; ANTIINFECTIVE AGENT; BETA LACTAMASE; BETA-LACTAMASE NDM-1; ENZYME INHIBITOR; PROTEIN BINDING; RECOMBINANT PROTEIN; VNI-41 COMPOUND;

ARTICLE; BACTERIAL CELL; CONCENTRATION RESPONSE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG ACTIVITY; DRUG DATABASE; DRUG FORMULATION; DRUG INHIBITION; DRUG SCREENING; DRUG STRUCTURE; FEASIBILITY STUDY; IC50; IN VITRO STUDY; MOLECULAR DOCKING; MULTI STEP VIRTUAL SCREENING; NONHUMAN; PROTEIN INTERACTION; BINDING SITE; BIOSYNTHESIS; CHEMISTRY; ENZYME ACTIVE SITE; FACTUAL DATABASE; GENETICS; ISOLATION AND PURIFICATION; METABOLISM; PRECLINICAL STUDY;

ANTI-BACTERIAL AGENTS; BETA-LACTAMASES; BINDING SITES; CATALYTIC DOMAIN; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; RECOMBINANT PROTEINS; SULFONAMIDES;

EID: 84929104504     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0118290     Document Type: Article

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