CoMFA and CoMSIA 3D-QSAR analysis of diaryloxy-methano-phenanthrene derivatives as anti-tubercular agents

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 99-109

  Shagufta, ^a   Kumar, Ashutosh ^a   Panda, Gautam ^a   Siddiqi, Mohammad Imran ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

3D QSAR; Antitubercular agents; CoMFA; CoMSIA; Diaryloxy methano phenanthrene

Indexed keywords

DIARYLOXYMETHANOPHENANTHRENE DERIVATIVE; LIGAND; PHENANTHRENE DERIVATIVE; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG DESIGN; DRUG SYNTHESIS; ELECTRICITY; HYDROPHOBICITY; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR INTERACTION; MOLECULAR MODEL; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

ANTITUBERCULAR AGENTS; BINDING SITES; CHEMISTRY, PHARMACEUTICAL; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; DRUG DESIGN; ELECTROSTATICS; HUMANS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHENANTHRENES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TUBERCULOSIS;

EID: 34250801083     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0124-0     Document Type: Article

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