title: Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE).
abstract: A main target in the treatment of hypertension is the angiotensin-converting enzyme (ACE). This enzyme is responsible for producing angiotensin II, a potent vasoconstrictor. Therefore, one of the targets in the treatment of hypertension is to inhibit ACE activity. Hence, this study's aim is to use computational studies to demonstrate that the proposed heterocyclic compounds have a molecular affinity for ACE and that, furthermore, these heterocyclic compounds are capable of inhibiting ACE activity, thus avoiding the production of the vasopressor Angiotensin II. All this using computer-aided drug design, and studying the systems, with the proposed compounds, through molecular recognition process and compared with the compounds already on the market for hypertension.
authors: Laboratorio de Química Medicinal, Departamento de C. Químicas FESC-Universidad Nacional Autónoma de México, Facultad de Química Universidad Autónoma del Estado de México.
authors: Víctor H
authors: VH
authors: Vázquez-Valadez
authors: V H
authors: VH
authors: Abrego
authors: Pablo A
authors: PA
authors: Martínez
authors: Gabriela
authors: G
authors: Torres
authors: Oscar
authors: O
authors: Zúñiga
authors: Daniel
authors: D
authors: Escutia
authors: Rebeca
authors: R
authors: Vilchis
authors: Ana Ma
authors: AM
authors: Velázquez
authors: Luisa
authors: L
authors: Martínez
authors: Mónica
authors: M
authors: Ruiz
authors: Brígida
authors: B
authors: Camacho
authors: Rafael
authors: R
authors: López-Castañares
authors: Enrique
authors: E
authors: Angeles
keywords: Angiotensin-converting enzyme (ACE); hypertension; molecular docking; molecular operating environment; protein-ligand interaction fingerprints.