Field- and Gaussian-based 3D-QSAR studies on barbiturate analogs as MMP-9 inhibitors

Medicinal Chemistry Research

Volumn 22, Issue 11, 2013, Pages 5303-5313

  Kalva, Sukesh ^a   Vinod, D ^b   Saleena, Lilly M ^a  

^a SRM INSTITUTE OF SCIENCE AND TECHNOLOGY   (India)

^b MADRAS MEDICAL COLLEGE   (India)

Author keywords

3D QSAR; Gelatinases; N Substituted homopiperazine barbiturate derivatives; Quantum polarized ligand docking

Indexed keywords

ANTINEOPLASTIC AGENT; BARBITURIC ACID DERIVATIVE; GELATINASE B; GELATINASE INHIBITOR;

ANGIOGENESIS; ARTICLE; BINDING AFFINITY; CELL PROLIFERATION; COMPETITIVE INHIBITION; CONFORMATION; CORRELATION COEFFICIENT; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; HYDROGEN BOND; IN VITRO STUDY; KERNEL METHOD; METASTASIS; MOLECULAR DOCKING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; STATIC ELECTRICITY; STEREOCHEMISTRY; SUBSTITUTION REACTION; TAUTOMER;

EID: 84887476260     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-013-0479-6     Document Type: Article

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