Computational analysis of spiro-oxindole inhibitors of the MDM2-p53 interaction: Insights and selection of novel inhibitors

Journal of Biomolecular Structure and Dynamics

Volumn 34, Issue 2, 2016, Pages 341-351

  Huang, Wei ^a   Cai, Lulu ^b   Chen, Can ^c   Xie, Xin ^a   Zhao, Qiong ^a   Zhao, Xing ^a   Zhou, Hong yun ^a   Han, Bo ^a   Peng, Cheng ^a  

^a CHENGDU UNIVERSITY OF TRADITIONAL CHINESE MEDICINE   (China)

^b SICHUAN PROVINCIAL PEOPLE'S HOSPITAL   (China)

^c CHENGDU MEDICAL COLLEGE   (China)

Author keywords

lead compound; MDM2; MM GBSA; molecular dynamics simulation; spiro oxindole derivative

Indexed keywords

INDOLE DERIVATIVE; PROTEIN MDM2; PROTEIN P53; SPIRO OXINDOLE INHIBITOR DERIVATIVE 1; SPIRO OXINDOLE INHIBITOR DERIVATIVE 2; SPIRO OXINDOLE INHIBITOR DERIVATIVE 3; UNCLASSIFIED DRUG; 2-OXINDOLE; PROTEIN BINDING; SPIRO COMPOUND;

ANALYTICAL PARAMETERS; ANTINEOPLASTIC ACTIVITY; ANTIPROLIFERATIVE ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING FREE ENERGY; CELL PROLIFERATION; COMPUTER MODEL; CONTROLLED STUDY; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG STRUCTURE; HCT116 CELL LINE; HUMAN; HUMAN CELL; IC50; IN VITRO STUDY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MUTAGENESIS; NULL CELL; PC3 CELL LINE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FUNCTION; PROTEIN PROTEIN INTERACTION; STATIC ELECTRICITY; STRUCTURE ACTIVITY RELATION; SURFACE AREA; VAN DER WAALS INTERACTION; CHEMISTRY; DRUG EFFECTS; HYDROGEN BOND; METABOLISM; THERMODYNAMICS; TUMOR CELL LINE;

CELL LINE, TUMOR; CELL PROLIFERATION; HUMANS; HYDROGEN BONDING; INDOLES; MOLECULAR DYNAMICS SIMULATION; MUTAGENESIS; PROTEIN BINDING; PROTO-ONCOGENE PROTEINS C-MDM2; SPIRO COMPOUNDS; THERMODYNAMICS; TUMOR SUPPRESSOR PROTEIN P53;

EID: 84955652007     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2015.1031178     Document Type: Article

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