Browsing by Subject "Molecular dynamics"

Now showing items 1-2 of 2

    • Methylpiperidinium Iodides as novel antagonists for alpha 7 nicotinic acetylcholine receptors 
      López Villa, Jhon; García Colunga, Jesús; Pérez, Edwin G.; Fierro, Angélica (Frontiers Media, 2018)
      The alpha 7 nicotinic acetylcholine receptor (nAChR) is expressed in neuronal and non-neuronal cells and is involved in several physiopathological processes, and is thus an important drug target. We have designed and ...
    • Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease 
      Yáñez Osses, Osvaldo Andrés; Osorio, Manuel Isaías; Areche Medina, Carlos Alberto; Vásquez Espinal, Alejandro; Bravo, Jéssica; Sandoval Aldana, Angélica; Pérez Donoso, José M.; González Nilo, Fernando Danilo; Matos, María Joao; Osorio, Edison; García Beltrán, Olimpo José; Tiznado Vásquez, William Artemio (Elsevier, 2021)
      Cocoa beans contain antioxidant molecules with the potential to inhibit type 2 coronavirus (SARS-CoV-2), which causes a severe acute respiratory syndrome (COVID-19). In particular, protease. Therefore, using in silico ...