Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 6, 2008, Pages 935-946

  Vadivelan, S ^a,b   Sinha, B N ^b   Rambabu, G ^a   Boppana, Kiran ^a   Jagarlapudi, Sarma A R P ^a  

^a GVK BIOSCIENCES PVT LTD   (India)

^b BIRLA INSTITUTE OF TECHNOLOGY   (India)

Author keywords

Histone deacetylase; HypoGen model; Pharmacophore; Similarity analysis; Virtual screening

Indexed keywords

HEMATOLOGICAL CANCERS; HISTONE DEACETYLASE; PHARMACOPHORES; VIRTUAL SCREENING;

CORRELATION METHODS; DATABASE SYSTEMS; HYDROGEN BONDS; MATHEMATICAL MODELS; ONCOLOGY; OPTIMIZATION; TUMORS;

ENZYME INHIBITION;

4 N ACETYLDINALINE; APICIDIN; CHLAMYDOCIN; DEPUDECIN; HISTONE DEACETYLASE; HISTONE DEACETYLASE INHIBITOR; N (2 AMINOPHENYL) 4 (3 PYRIDINYLMETHOXYCARBONYLAMINOMETHYL)BENZAMIDE; NCI 0022875; NCI 0028566; NCI 0070611; NCI 0101014; NCI 0108360; NCI 0278362; NCI 0297562; NCI 0322369; NCI 0373246; NCI 0652167; NCI 0673803; OXAMPLATIN; PYROXAMIDE; ROMIDEPSIN; TRAPOXIN; TRICHOSTATIN A; UNCLASSIFIED DRUG; VORINOSTAT;

ARTICLE; CATALYST; DRUG ACTIVITY; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL;

ALGORITHMS; DRUG DESIGN; ENZYME INHIBITORS; HISTONE DEACETYLASES; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STRUCTURAL; REPRODUCIBILITY OF RESULTS;

EID: 37449006536     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.07.002     Document Type: Article

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