Use of virtual screening, flexible docking, and molecular interaction fields to design novel HMG-CoA reductase inhibitors for the treatment of hypercholesterolemia

Journal of Physical Chemistry A

Volumn 112, Issue 10, 2008, Pages 2007-2011

  Da Silva, Vinicius B ^a   Taft, Carlton A ^b   Silva, Carlos H T P ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE NETWORKS; BODY FLUIDS; CHEMOTHERAPY; CHOLESTEROL; DOCKING; DRUG DELIVERY; DRUG DOSAGE; FLOW INTERACTIONS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; SULFUR COMPOUNDS;

AMERICAN CHEMICAL SOCIETY (ACS); CHOLESTEROL SYNTHESIS; COMPETITIVE INHIBITION; COMPUTER AIDED MOLECULAR DESIGN (CAMD); CORONARY ARTERY DISEASE (CAD); FLEXIBLE DOCKING; HYPERCHOLESTEROLEMIA; LARGE DATA; MOLECULAR INTERACTION FIELDS (MIF); REDUCTASE (BVR-A); REDUCTASE INHIBITORS; SERUM CHOLESTEROL; SERUM LEVELS; STATINS; VIRTUAL SCREENING (VS);

DRUG THERAPY;

HYDROXYMETHYLGLUTARYL COENZYME A REDUCTASE; HYDROXYMETHYLGLUTARYL COENZYME A REDUCTASE INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; ENZYMOLOGY; HUMAN; HYPERCHOLESTEROLEMIA; MOLECULAR LIBRARY;

BINDING SITES; COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; HYDROXYMETHYLGLUTARYL COA REDUCTASES; HYDROXYMETHYLGLUTARYL-COA REDUCTASE INHIBITORS; HYPERCHOLESTEROLEMIA; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SMALL MOLECULE LIBRARIES;

EID: 41249099180     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075502e     Document Type: Article

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