Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 382-395

  Sundarapandian, Thangapandian ^a   Shalini, John ^a   Sugunadevi, Sakkiah ^a   Woo, Lee Keun ^a  

^a Gyeongsang National University   (South Korea)

Author keywords

Cancer; GOLD; Histone deacetylase 8; Lipinski's rule; Pharmacophore; Virtual screening

Indexed keywords

CANCER; HISTONE DEACETYLASES; LIPINSKI'S RULE; PHARMACOPHORES; VIRTUAL SCREENING;

AMINO ACIDS; DOCKING; ENZYME INHIBITION; GOLD; MOLECULAR MODELING; OPTIMIZATION; TRANSCRIPTION FACTORS;

PHARMACODYNAMICS;

HISTONE DEACETYLASE 8 INHIBITOR; HYDROLASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG BINDING; DRUG CONFORMATION; DRUG DESIGN; ENZYME INHIBITION; EXPERIMENTAL STUDY; MOLECULAR DOCKING; NEOPLASM; PHARMACOPHORE; PRIORITY JOURNAL; VALIDATION PROCESS;

ANIMALS; ANTINEOPLASTIC AGENTS; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEOPLASMS; PROTEIN CONFORMATION; REPRESSOR PROTEINS;

EID: 78649494321     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.07.007     Document Type: Article

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