Pyridones as NNRTIs against HIV-1 mutants: 3D-QSAR and protein informatics

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 7, 2013, Pages 637-654

  Debnath, Utsab ^a   Verma, Saroj ^a   Jain, Surabhi ^a   Katti, Setu B ^a   Prabhakar, Yenamandra S ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

CoMFA; CoMSIA; HIV 1 RT; NNRTIs; Protein informatics; Pyridones

Indexed keywords

COMPUTATIONAL CHEMISTRY;

3D-QSAR; BROAD SPECTRUM; COMFA; COMSIA; HIV-1 RT; INFORMATICS; NNRTI; PROTEIN INFORMATIC; PYRIDONES; STERICS;

PROTEINS;

4 BENZOYLPYRIDIN 2 ONE DERIVATIVE; 4 BENZYLPYRIDIN 2 ONE DERIVATIVE; CYSTEINE; LEUCINE; LYSINE; NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; PYRIDONE DERIVATIVE; TYROSINE; UNCLASSIFIED DRUG; AMINO ACID; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; PROTEIN BINDING; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ACIDITY; ANTIVIRAL ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONSENSUS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; ELECTROMAGNETIC FIELD; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROPHOBICITY; ISOELECTRIC POINT; PRIORITY JOURNAL; PROTEIN DATABASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VIRUS MUTANT; WILD TYPE; BINDING SITE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DESIGN; GENETICS; HUMAN; MUTATION;

AMINO ACIDS; ANTI-HIV AGENTS; BINDING SITES; DATABASES, PROTEIN; DRUG DESIGN; HIV-1; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR STRUCTURE; MUTATION; PROTEIN BINDING; PYRIDONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS;

EID: 84882289244     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9667-1     Document Type: Article

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