Design, modification and 3D QSAR studies of novel naphthalin-containing pyrazoline derivatives with/without thiourea skeleton as anticancer agents

Bioorganic and Medicinal Chemistry

Volumn 21, Issue 5, 2013, Pages 1050-1063

  Yang, Wen ^a   Hu, Yang ^a   Yang, Yu Shun ^a   Zhang, Fei ^a   Zhang, Yan Bin ^a   Wang, Xiao Liang ^a   Tang, Jian Feng ^a   Zhong, Wei Qing ^b   Zhu, Hai Liang ^a  

^a NANJING UNIVERSITY   (China)

^b SECOND MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

3D QSAR; Antitumor activity; EGFR; HER 2; Modification; Naphthalin; Pyrazoline; Thiourea

Indexed keywords

3 (3,4 DICHLOROPHENYL) 5 (NAPHTHALEN 1 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (3,4 DICHLOROPHENYL) 5 (NAPHTHALEN 1 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (3,4 DICHLOROPHENYL) 5 (NAPHTHALEN 2 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (3,4 DICHLOROPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 BROMOPHENYL) 5 (NAPHTHALEN 1 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 BROMOPHENYL) 5 (NAPHTHALEN 1 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 BROMOPHENYL) 5 (NAPHTHALEN 2 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 BROMOPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 CHLOROPHENYL) 5 (NAPHTHALEN 1 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 CHLOROPHENYL) 5 (NAPHTHALEN 1 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 CHLOROPHENYL) 5 (NAPHTHALEN 2 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 CHLOROPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 FLUOROPHENYL) 5 (NAPHTHALEN 1 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 FLUOROPHENYL) 5 (NAPHTHALEN 1 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 FLUOROPHENYL) 5 (NAPHTHALEN 2 YL) 1 PHENYL 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 FLUOROPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 METHOXYPHENYL) 5 (NAPHTHALEN 1 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 3 (4 METHOXYPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE; 3 (4 METHOXYPHENYL) 5 (NAPHTHALEN 2 YL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 5 (NAPHTHALEN 1 YL) 1 PHENYL 3 (4 TOLYL) 4,5 DIHYDRO 1H PYRAZOLE; 5 (NAPHTHALEN 1 YL) 1,3 DIPHENYL 4,5 DIHYDRO 1H PYRAZOLE; 5 (NAPHTHALEN 1 YL) 3 (4 TOLYL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 5 (NAPHTHALEN 1 YL) 3 PHENYL 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 5 (NAPHTHALEN 2 YL) 1,3 DIPHENYL 4,5 DIHYDRO 1H PYRAZOLE; 5 (NAPHTHALEN 2 YL) 3 (4 TOLYL) 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; 5 (NAPHTHALEN 2 YL) 3 PHENYL 4,5 DIHYDRO 1H PYRAZOLE 1 CARBOTHIOAMIDE; ANTINEOPLASTIC AGENT; ERLOTINIB; PYRAZOLINE DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; BINDING SITE; CANCER CELL; CELL PROLIFERATION; CONTROLLED STUDY; CYCLIZATION; DRUG CONFORMATION; DRUG DESIGN; DRUG EFFICACY; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SAFETY; HUMAN; HUMAN CELL; IC 50; MOLECULAR DOCKING; PROTEIN PHOSPHORYLATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY DIFFRACTION;

ANTINEOPLASTIC AGENTS; BINDING SITES; CELL LINE, TUMOR; CELL SURVIVAL; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; MCF-7 CELLS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; NAPHTHALENES; PROTEIN STRUCTURE, TERTIARY; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINAZOLINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; RECEPTOR, ERBB-2; THIOUREA;

EID: 84873693153     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.01.013     Document Type: Article

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