3D structure generation, virtual screening and docking of human Ras-associated binding (Rab3A) protein involved in tumourigenesis

Molecular Biology Reports

Volumn 41, Issue 6, 2014, Pages 3951-3959

  Lodhi, Sharad S ^a,b   Farmer, Rohit ^c   Singh, Atul Kumar ^d   Jaiswal, Yogesh K ^a   Wadhwa, Gulshan ^b  

^a JIWAJI UNIVERSITY   (India)

^b DEPARTMENT OF BIOTECHNOLOGY   (India)

^c SAM HIGGINBOTTOM UNIVERSITY OF AGRICULTURE   (India)

^d INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

GOLD Docking; GTP; Rab3A; Tumourigenesis

Indexed keywords

2 ISOQUINOLIN 1 YL 4 (4 METHYLPHENYL) 5 PHENYL 1,3 OXAZOLE; 3 HYDROXY N (3 NITROPHENYL)NAPHTHALENE 2 CARBOXAMIDE; 5 PHENYL 2 [5 PHENYL 2,3 DIHYDRO 1,3 BENZOXAZOL 2 YL] 2,3 DIHYDRO 1,3 BENZOXAZOLE; GUANOSINE TRIPHOSPHATASE; GUANOSINE TRIPHOSPHATE; LIGAND; PROTEIN INHIBITOR; RAB PROTEIN; UNCLASSIFIED DRUG; [PIPERIDIN 1 IUM 2 YL] [2 (TRIFLUOROMETHYL) 6 [4 (TRIFLUOROMETHYL)PHENYL]PYRIDIN 4 YL]METHANOL; MOLECULAR LIBRARY;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; BINDING SITE; CARCINOGENESIS; COMPUTER PROGRAM; DATA BASE; DRUG SCREENING; ENZYME ACTIVITY; GENETIC ALGORITHM; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN INTERACTION; PROTEIN STRUCTURE; SCORING SYSTEM; ANTAGONISTS AND INHIBITORS; CHEMISTRY; CONFORMATION; ENZYME ACTIVE SITE; GENETICS; HUMAN; MOLECULAR LIBRARY;

BINDING SITES; CARCINOGENESIS; CATALYTIC DOMAIN; HUMANS; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; RAB3A GTP-BINDING PROTEIN; SMALL MOLECULE LIBRARIES;

EID: 84902377519     PISSN: 03014851     EISSN: 15734978     Source Type: Journal    
DOI: 10.1007/s11033-014-3263-x     Document Type: Article

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