Dynamic structure-based pharmacophore model development: A new and effective addition in the Histone deacetylase 8 (HDAC8) inhibitor discovery

International Journal of Molecular Sciences

Volumn 12, Issue 12, 2011, Pages 9440-9462

  Thangapandian, Sundarapandian ^a   John, Shalini ^a   Lee, Yuno ^a   Kim, Songmi ^a   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

Author keywords

Lipinski's rule; Molecular docking; Molecular dynamics simulation; Pharmacophore; Virtual screening

Indexed keywords

HISTONE DEACETYLASE 8; HISTONE DEACETYLASE 8 INHIBITOR; HISTONE DEACETYLASE INHIBITOR; TRICHOSTATIN A; UNCLASSIFIED DRUG; VORINOSTAT; HDAC8 PROTEIN, HUMAN; HISTONE DEACETYLASE; REPRESSOR PROTEIN;

ARTICLE; CONFORMATIONAL TRANSITION; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVE SITE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHARMACOPHORE; PROTEIN STRUCTURE; VIRTUAL REALITY; AMINO ACID SEQUENCE; ANTAGONISTS AND INHIBITORS; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR GENETICS;

AMINO ACID SEQUENCE; HISTONE DEACETYLASE INHIBITORS; HISTONE DEACETYLASES; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; REPRESSOR PROTEINS;

EID: 84155174742     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12129440     Document Type: Article

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