Identification of important chemical features of 11β-hydroxysteroid Dehydrogenase type1 inhibitors: Application of Ligand based virtual screening and density functional theory

International Journal of Molecular Sciences

Volumn 13, Issue 4, 2012, Pages 5138-5162

  Sakkiah, Sugunadevi ^a   Meganathan, Chandrasekaran ^a   Sohn, Young Sik ^a   Namadevan, Sundaraganesan ^b   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

^b ANNAMALAI UNIVERSITY   (India)

Author keywords

11 hydroxysteroid dehydrogenase; Density function theory; Diabetes; Molecular docking; Pharmacophore; Virtual screening

Indexed keywords

11BETA HYDROXYSTEROID DEHYDROGENASE 1; 11BETA HYDROXYSTEROID DEHYDROGENASE 1 INHIBITOR; COMPOUND 10978; COMPOUND 23516; HTS 05706; HTS 07455; HTS 08985; JFD 03179; KM 06091; KM 10378; NCI 0022030; NCI 0025130; NCI 0031862; NCI 0050873; OXIDOREDUCTASE INHIBITOR; RJC 03502; SCR 00436; SCR 00883; SPB 02668; SPB 07954; UNCLASSIFIED DRUG; CORTISONE; GLUCOSE; HSD11B1 PROTEIN, HUMAN; HYDROCORTISONE;

ARTICLE; COMPUTER AIDED DESIGN; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VIRTUAL REALITY; ANTAGONISTS AND INHIBITORS; BINDING SITE; BIOSYNTHESIS; CHEMICAL STRUCTURE; DIABETES MELLITUS, TYPE 2; HUMAN; INSULIN RESISTANCE; METABOLISM; PHYSIOLOGY;

11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1; BINDING SITES; CORTISONE; DIABETES MELLITUS, TYPE 2; DRUG DESIGN; GLUCOSE; HUMANS; HYDROCORTISONE; INSULIN RESISTANCE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84860126566     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms13045138     Document Type: Article

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