In silico QSAR studies of anilinoquinolines as EGFR inhibitors

Journal of Molecular Modeling

Volumn 16, Issue 2, 2010, Pages 263-277

  Ahmad Pasha, Farhan ^a,e   Muddassar, Muhammad ^c   Kumar Srivastava, Anil ^d   Joo Cho, Seung ^b  

^a Korea Institute of Science and Technology   (South Korea)

^b Chosun University   (South Korea)

^c University of Science and Technology (UST)   (South Korea)

^d MLKPG College   (India)

^e INSTITUT DE BIOLOGIE STRUCTURALE   (France)

Author keywords

3D QSAR; Anilinoquinazoline; CoMFA; Density functional theory; Epidermal growth factor receptor; Kinase inhibitors

Indexed keywords

ANILINOQUINOLINE DERIVATIVE; EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR; QUINOLINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER MODEL; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; HYDROPHOBICITY; IC 50; MOLECULAR DOCKING; MOLECULAR MECHANICS; MOLECULAR WEIGHT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANILINE COMPOUNDS; COMPUTER SIMULATION; ENZYME INHIBITORS; HUMANS; HYDROPHOBICITY; MODELS, MOLECULAR; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOLINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; STATIC ELECTRICITY;

EID: 75949127611     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0534-x     Document Type: Article

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