Review of Synthesis, Biological Assay, and QSAR Studies of HMGR Inhibitors

Author(s): Isela Garcia, Yagamare Fall, Generosa Gomez.

Journal Name: Current Topics in Medicinal Chemistry

Volume 12 , Issue 8 , 2012

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Abstract:

Effective as statin drugs or acids are inhibitors mevinic limiting enzyme in cholesterol biosynthesis, 3-hydroxy- 3-methyl-glutaryl coenzyme A-3-hydroxy-3-reductase (HMGR), an enzyme responsible for the reduction the double methyl-glutaryl coenzyme A. These compounds promoted the synthesis and evaluation of new inhibitors of HMGR, called HMGRIs. The high number of potential candidates need to create models of quantitative structure-activity relationship in order to guide the HMGRI (3-hydroxy-3-methyl-glutarylcoenzyme A inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of HMGRIs. First, we revised QSAR studies with conceptual parameters how flexibility of rotation, probability of availability, etc; Next, using method of regression analysis; and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we review 3D QSAR, CoMFA and CoMSIA with different compound to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity.

Keywords: QSAR, Complex network, Lipid-lowering agent, Cholesterol level, Atherosclerotic disease, Antiparasite drug, Trypanosoma cruzi, Chagas’ disease, 3-hydroxy-3-methyl-glutaryl coenzyme A reductase, CoMSIA, COMFA, topological indices

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Article Details

VOLUME: 12
ISSUE: 8
Year: 2012
Page: [895 - 919]
Pages: 25
DOI: 10.2174/156802612800166729
Price: $58

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