Acylthiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors: Docking studies and ligand-based CoMFA and CoMSIA analyses

Journal of Molecular Modeling

Volumn 15, Issue 7, 2009, Pages 871-884

  Cichero, Elena ^a   Cesarini, Sara ^a   Spallarossa, Andrea ^a   Mosti, Luisa ^a   Fossa, Paola ^a  

^a UNIVERSITY OF GENOA   (Italy)

Author keywords

Acylthiocarbamates; CoMFA; CoMSIA; Docking; HIV 1; Reverse transcriptase

Indexed keywords

THIOCARBAMIC ACID DERIVATIVE;

ANALYTICAL ERROR; ANTIVIRAL ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG DESIGN; DRUG IDENTIFICATION; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HIV REVERSE TRANSCRIPTASE; HIV-1; HUMANS; HYDROGEN BONDING; HYDROPHOBICITY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS; STATIC ELECTRICITY; THIOCARBAMATES;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 67349140257     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0441-6     Document Type: Article

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