Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors

SAR and QSAR in Environmental Research

Volumn 25, Issue 8, 2014, Pages 651-671

  Balupuri, A ^a   Balasubramanian, P K ^a   Gadhe, C G ^a   Cho, S J ^a  

^a Chosun University College of Medicine   (South Korea)

Author keywords

3D QSAR; Chk1; CoMFA; CoMSIA; docking; pyridyl aminothiazoles

Indexed keywords

COMPUTATIONAL CHEMISTRY; HYDROGEN BONDS; STATISTICAL METHODS;

3D-QSAR; AMINOTHIAZOLE; ANALYSIS MODELS; CHECKPOINT KINASE 1; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; DOCKING; PYRIDYL; PYRIDYL AMINOTHIAZOLE; QSAR STUDIES;

ENZYMES;

ANTINEOPLASTIC AGENT; CHECKPOINT KINASE 1; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; THIAZOLE DERIVATIVE;

CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; MOLECULAR DOCKING; NEOPLASMS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTINEOPLASTIC AGENTS; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; NEOPLASMS; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES;

EID: 84907431311     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2014.923040     Document Type: Article

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