Molecular docking and 3D-QSAR studies of falcipain inhibitors using CoMFA, CoMSIA, and Open3DQSAR

Medicinal Chemistry Research

Volumn 21, Issue 10, 2012, Pages 2788-2806

  Ghasemi, Jahan B ^a   Shiri, Fereshteh ^b  

^a K N TOOSI UNIVERSITY OF TECHNOLOGY   (Iran)

^b RAZI UNIVERSITY   (Iran)

Author keywords

CoMFA; CoMSIA; Docking; Falcipain inhibitors; MDC; Open3DQSAR

Indexed keywords

ANTIMALARIAL AGENT; FALCIPAIN INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CORRELATION COEFFICIENT; DRUG ACTIVITY; DRUG BINDING; DRUG STRUCTURE; IC 50; MODEL; MOLECULAR DOCKING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 84866381677     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-011-9803-1     Document Type: Article

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