Imidazole and nitroimidazole derivatives as NADH-fumarate reductase inhibitors : Density functional theory studies, homology modeling, and molecular docking

© 2022 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 43(2022), 23 vom: 05. Sept., Seite 1573-1595
Auteur principal: Campos-Fernández, Linda (Auteur)
Autres auteurs: Ortiz-Muñiz, Rocío, Cortés-Barberena, Edith, Mares-Sámano, Sergio, Garduño-Juárez, Ramón, Soriano-Correa, Catalina
Format: Article en ligne
Langue:English
Publié: 2022
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Chagas disease DFT calculations NADH-fumarate reductase homology modeling molecular docking Enzyme Inhibitors Imidazoles Nitroimidazoles plus... NAD 0U46U6E8UK Oxidoreductases Acting on CH-CH Group Donors EC 1.3.- fumarate reductase (NADH) EC 1.3.1.6