Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, an...

por Hajji, Halima, Alaqarbeh, Marwa, Lakhlifi, Tahar, Ajana, Mohammed Aziz, Alsakhen, Nada, Bouachrine, Mohammed
Publicado 2022

Discover the Medication Potential of Algerian Medicinal Plants Against Sars-Cov-2 Main Protease (M(pro)): Molecular Docking, Molecular Dynamic Simulation, and ADMET Analysis

por Soudani, Wafa, Zaki, Hanane, Alaqarbeh, Marwa, ELMchichi, Larbi, Bouachrine, Mohammed, Hadjadj-Aoul, Fatima Zohra
Publicado 2023

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

Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach

por Belhassan, Assia, Zaki, Hanane, Chtita, Samir, Alaqarbeh, Marwa, Alsakhen, Nada, Benlyas, Mohamed, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2021

In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation...

por Belhassan, Assia, Chtita, Samir, Zaki, Hanane, Alaqarbeh, Marwa, Alsakhen, Nada, Almohtaseb, Firas, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2022

New organic dye-sensitized solar cells based on the D–A–π–A structure for efficient DSSCs: DFT/TD-DFT investigations

por Azaid, Ahmed, Raftani, Marzouk, Alaqarbeh, Marwa, Kacimi, Rchid, Abram, Tayeb, Khaddam, Youness, Nebbach, Diae, Sbai, Abdelouahid, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2022