Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognition

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 2, 2014, Pages 89-97

  Patil, Sachin P ^a   Ballester, Pedro J ^b   Kerezsi, Cassidy R ^a  

^a WIDENER UNIVERSITY   (United States)

^b WELLCOME TRUST SANGER INSTITUTE   (United Kingdom)

Author keywords

Colon cancer cells; DrugBank database; MDM2; p53; Ultrafast shape recognition; Virtual screening

Indexed keywords

BINDING ENERGY; CANCER CELLS; DIAGNOSIS; DISEASES; LIGANDS; PROTEINS; QUERY PROCESSING; TUMORS;

COLON CANCER CELLS; DRUGBANK; DRUGBANK DATABASE; MURINE DOUBLE MINUTE 2; P53; P53 PROTEIN; SHAPE RECOGNITION; ULTRA-FAST; ULTRAFAST SHAPE RECOGNITION; VIRTUAL SCREENING;

MOLECULES;

ANTIHYPERTENSIVE AGENT; PROTEIN MDM2; PROTEIN P53; TELMISARTAN; BENZIMIDAZOLE DERIVATIVE; BENZOIC ACID DERIVATIVE; IMIDAZOLE DERIVATIVE; LIGAND; NUTLIN 3; PIPERAZINE DERIVATIVE;

ARTICLE; CANCER CELL CULTURE; CANCER INHIBITION; CELL PROLIFERATION; CHEMICAL STRUCTURE; COLON TUMOR; CONTROLLED STUDY; CRYSTAL; CRYSTAL STRUCTURE; DOSE RESPONSE; ENERGY; HUMAN; HUMAN CELL; MOLECULAR MODEL; PRIORITY JOURNAL; PROSPECTIVE STUDY; PROTEIN PROTEIN INTERACTION; SCREENING TEST; ULTRAFAST SHAPE RECOGNITION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG EFFECTS; DRUG SCREENING; FACTUAL DATABASE; IMAGE PROCESSING; MOLECULAR DOCKING; PROCEDURES; TUMOR CELL LINE;

BENZIMIDAZOLES; BENZOATES; CELL LINE, TUMOR; CELL PROLIFERATION; DATABASES, FACTUAL; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG SCREENING ASSAYS, ANTITUMOR; HUMANS; IMAGE PROCESSING, COMPUTER-ASSISTED; IMIDAZOLES; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PIPERAZINES; PROSPECTIVE STUDIES; PROTO-ONCOGENE PROTEINS C-MDM2; TUMOR SUPPRESSOR PROTEIN P53;

EID: 84898797994     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9732-4     Document Type: Article

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