Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of mmp-13 hemopexin domain

PLoS ONE

Volumn 5, Issue 8, 2010, Pages

  Kothapalli, Roopa ^a   Khan, Asif M ^a   Basappa, ^b   Gopalsamy, Anupriya ^a   Chong, Yap Seng ^a   Annamalai, Loganath ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b SINGAPORE MIT ALLIANCE FOR RESEARCH AND TECHNOLOGY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

1 ACETYL 4 HYDROXYPYRROLIDINE 2 CARBOXYLIC ACID; 2 [2 [(2CHLOROBENZOYL)AMINO] 1,3 THIAZOL 4 YL] ACETIC ACID; 2 FLUOROINSOPHTHALIC ACID; 2,3 DIHYDRO 1,4 BENZODIOXINE 2 CARBOXYLIC ACID; 2,3 DIHYDRO 1,4 BENZODIOXINE 5 CARBOXYLIC ACID; 3 (CARBOXYMETHYL) 2 METHYLENEPENTANEDIONIC ACID; 6 HYDROXY 2 (METHYLSULFANYL) 4 PYRIMIDINECARBOXYLIC ACID; AMINO ACID; COLLAGENASE 3; HEMOPEXIN; INTERSTITIAL COLLAGENASE; MATRIX METALLOPROTEINASE INHIBITOR; NEUTROPHIL COLLAGENASE; UNCLASSIFIED DRUG; ENZYME INHIBITOR; LIGAND;

ARTICLE; CHEMINFORMATICS; COMBINATORIAL LIBRARY; CONTROLLED STUDY; DRUG ABSORPTION; DRUG CROSS REACTIVITY; DRUG DESIGN; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG IDENTIFICATION; DRUG METABOLISM; DRUG PROTEIN BINDING; DRUG STRUCTURE; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; HUMAN; INFORMATION PROCESSING; OSTEOARTHRITIS; PHYSICAL CHEMISTRY; PROTEIN DOMAIN; PROTEIN FAMILY; RHEUMATOID ARTHRITIS; SEQUENCE ANALYSIS; STRUCTURE ANALYSIS; AMINO ACID SEQUENCE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DNA SEQUENCE; DRUG ANTAGONISM; ENZYME SPECIFICITY; INFORMATION SCIENCE; METABOLISM; METHODOLOGY; MOLECULAR GENETICS; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE;

AMINO ACID SEQUENCE; DRUG DESIGN; ENZYME INHIBITORS; HEMOPEXIN; HUMANS; INFORMATICS; LIGANDS; MATRIX METALLOPROTEINASE 13; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SEQUENCE ANALYSIS, DNA; SUBSTRATE SPECIFICITY;

EID: 77957935995     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0012494     Document Type: Article

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