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Antileishmanial activity of quinazoline derivatives: synthesis, docking screens, molecular dynamic simulations and electrochemical studies.
Mendoza-Martínez, Cesar; Galindo-Sevilla, Norma; Correa-Basurto, José; Ugalde-Saldivar, Victor Manuel; Rodríguez-Delgado, Rosa Georgina; Hernández-Pineda, Jessica; Padierna-Mota, Cecilia; Flores-Alamo, Marcos; Hernández-Luis, Francisco.
Affiliation
  • Mendoza-Martínez C; Programa de Maestría y Doctorado en Ciencias Químicas, Universidad Nacional Autónoma de México, México, DF 04510, Mexico; Departamento de Farmacia, Universidad Nacional Autónoma de México, México, DF 04510, Mexico.
  • Galindo-Sevilla N; Departamento de Infectología, Instituto Nacional de Perinatología, México, DF 11000, Mexico.
  • Correa-Basurto J; Escuela Superior de Medicina, Instituto Politécnico Nacional, México, DF 11340, Mexico.
  • Ugalde-Saldivar VM; Departamento de Química Inorgánica y Nuclear, Universidad Nacional Autónoma de México, México, DF 04510, Mexico.
  • Rodríguez-Delgado RG; Facultad de Química, Universidad Nacional Autónoma de México, México, DF 04510, Mexico.
  • Hernández-Pineda J; Departamento de Infectología, Instituto Nacional de Perinatología, México, DF 11000, Mexico.
  • Padierna-Mota C; Laboratorio de Especialidades Inmunológicas S.A. de C.V., México, DF 07580, Mexico.
  • Flores-Alamo M; Facultad de Química, Universidad Nacional Autónoma de México, México, DF 04510, Mexico.
  • Hernández-Luis F; Departamento de Farmacia, Universidad Nacional Autónoma de México, México, DF 04510, Mexico. Electronic address: franher@unam.mx.
Eur J Med Chem ; 92: 314-31, 2015 Mar 06.
Article in En | MEDLINE | ID: mdl-25576738
ABSTRACT
A series of quinazoline-2,4,6-triamine were synthesized and evaluated in vitro against Leishmania mexicana. Among them, N(6)-(ferrocenmethyl)quinazolin-2,4,6-triamine (H2) showed activity on promastigotes and intracellular amastigotes, as well as low cytotoxicity in mammalian cells. Docking and electrochemical studies showed the importance of both the ferrocene and the heterocyclic nucleus to the observed activity. H2 is readily oxidized electrochemically, indicating that the mechanism of action probably involves redox reactions.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Leishmania mexicana / Electrochemical Techniques / Molecular Dynamics Simulation / Molecular Docking Simulation / Antiprotozoal Agents Limits: Animals Language: En Journal: Eur J Med Chem Year: 2015 Document type: Article Affiliation country: México

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Leishmania mexicana / Electrochemical Techniques / Molecular Dynamics Simulation / Molecular Docking Simulation / Antiprotozoal Agents Limits: Animals Language: En Journal: Eur J Med Chem Year: 2015 Document type: Article Affiliation country: México