Please use this identifier to cite or link to this item: http://repositorio.ufla.br/jspui/handle/1/41858
Title: Exploring structure-based drug design for the development of multi-target antihypertensives
Keywords: Antihypertensives
Angiotensin converting-enzyme
Calcium channel
Rennin
Docking studies
Intermolecular interactions
Issue Date: 2015
Publisher: Bentham Science Publishers
Citation: MOTA, E. G.; CUNHA, E. F. F. da; FREITAS, M. P. Exploring structure-based drug design for the development of multi-target antihypertensives. Letters in Drug Design & Discovery, [S.l.], v. 12, n. 9, p. 704-710, 2015. DOI: 10.2174/1570180812666150331203528.
Abstract: This work reports the docking studies of compounds designed from the combination of substructures of three types of antihypertensives: angiotensin converting- enzyme (ACE) inhibitors, calcium channel blockers and renin inhibitors. Consequently, multi-target compounds are expected to be obtained. Indeed, a few purposes showed both docking scores and intermolecular ligand-enzyme interaction towards all three targets higher than the reference compounds Captopril (ACE inhibitor), Amlodipine (calcium channel blocker) and Aliskiren (renin inhibitor). Particularly, the proposed compound 18 (containing a phenyl group, a substituted dihydropyridine and a piperazinyl-like group as substituents at the indoline scaffold) is a promising ligand for all three enzymatic targets. These results, which were discussed in terms of ligand-enzyme interactions (especially hydrogen bonding between amino acid residues and ligands), indicate promising perspectives for synthesis and biological tests.
URI: http://www.eurekaselect.com/129914/article
http://repositorio.ufla.br/jspui/handle/1/41858
Appears in Collections:DQI - Artigos publicados em periódicos

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