Thilagavathi, Ramasamy ; Kumar, Raj ; Aparna, Vema ; Sobhia, M. Elizabeth ; Gopalakrishnan, Bulusu ; Chakraborti, Asit K. (2005) Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA) Bioorganic & Medicinal Chemistry Letters, 15 (4). pp. 1027-1032. ISSN 0960-894X
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.bmcl.2004.12.042
Abstract
A comparative molecular similarity indices analysis (CoMSIA) of a set of 29 imidazolyl and N-pyrrolyl heptenoates have been performed to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity. The HMG like side chain, a common moiety of statins, was used to align the molecules. The results guide to design new chemical entities with high potency.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | 3D-QSAR; HMG-CoA; Imidazolyl Heptenoates; N-Pyrolyl Heptenoates |
| ID Code: | 100641 |
| Deposited On: | 19 Jan 2017 11:51 |
| Last Modified: | 19 Jan 2017 11:51 |
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