title: Review of synthesis, biological assay, and QSAR studies of HMGR inhibitors.
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.
authors.affiliation: Department of Organic Chemistry, University of Vigo, Spain. iselapintos@yahoo.es
authors.forename: Isela
authors.initials: I
authors.lastname: García
authors.forename: Yagamare
authors.initials: Y
authors.lastname: Fall
authors.forename: Generosa
authors.initials: G
authors.lastname: Gómez
mesh_terms: D000818:Animals; D006801:Humans; D006903:Hydroxymethylglutaryl CoA Reductases / Q000737:chemistry / Q000378:metabolism*; D019161:Hydroxymethylglutaryl-CoA Reductase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D013329:Structure-Activity Relationship
chemical_list: D019161:Hydroxymethylglutaryl-CoA Reductase Inhibitors; D006903:Hydroxymethylglutaryl CoA Reductases