CoMFA and CoMSIA of diverse pyrrolidine analogues as dipeptidyl peptidase IV inhibitors: Active site requirements

Molecular Diversity

Volumn 15, Issue 2, 2011, Pages 457-466

  Murugesan, Vanangamudi ^a   Sethi, Nidhi ^a   Prabhakar, Yenamandra S ^a   Katti, Seturam B ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

Comparative molecular field analysis (CoMFA); Comparative molecular similarity indices analysis (CoMSIA); Dipeptidyl peptidase IV inhibitors; DPP IV; Pyrrolidine analogues; Type 2 diabetes

Indexed keywords

4 AMINOCYCLOHEXYLALANINE PYRROLIDINE DERIVATIVE; 4 AMINOCYCLOHEXYLGLYCINE PYRROLIDINE DERIVATIVE; 4 AMINOCYCLOHEXYLGLYCINE THIAZOLIDIDE DERIVATIVE; BETA METHYLPHENYLALANINE PYRROLIDINE DERIVATIVE; DIPEPTIDYL PEPTIDASE IV INHIBITOR; FLUOROPYRROLIDINE DERIVATIVE; GLUTAMATE CYANOPYRROLIDINE DERIVATIVE; OXADIAZOLE PYRROLIDINE DERIVATIVE; PYRROLIDINE DERIVATIVE; SULFONAMIDE; THIAZOLIDIDE DERIVATIVE; UNCLASSIFIED DRUG; DIPEPTIDYL PEPTIDASE IV; PYRROLIDINE;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG ACTIVITY; ELECTRON; ENZYME INHIBITION; HYDROGEN BOND; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; ENZYME ACTIVE SITE; METABOLISM; MOLECULAR DYNAMICS; PROTEIN BINDING;

CATALYTIC DOMAIN; DIPEPTIDYL PEPTIDASE 4; DIPEPTIDYL-PEPTIDASE IV INHIBITORS; DRUG DESIGN; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PYRROLIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80051564797     PISSN: 13811991     EISSN: 1573501X     Source Type: Journal    
DOI: 10.1007/s11030-010-9267-0     Document Type: Article

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