Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M(Pro))

por EL Khatabi, Khalil, Aanouz, Ilham, Alaqarbeh, Marwa, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2022

Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1,2,3-triazole based derivatives for designing new acetylcholinesterase inhibitors

por EL KHATABI, Khalil, AANOUZ, Ilham, El-MERNISSI, Reda, SINGH, Atul Kumar, AJANA, Mohammed Aziz, LAKHLIFI, Tahar, KUMAR, Shashank, BOUACHRINE, Mohammed
Publicado 2021

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

por Khaldan, Ayoub, Bouamrane, Soukaina, En-Nahli, Fatima, El-mernissi, Reda, El khatabi, Khalil, Hmamouchi, Rachid, Maghat, Hamid, Ajana, Mohammed Aziz, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2021