In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening

por Ghaleb, Adib, Aouidate, Adnane, Bouachrine, Mohammed, Lakhlifi, Tahar, Sbai, Abdelouhid
Publicado 2019

Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction

por Belhassan, Assia, Zaki, Hanane, Benlyas, Mohamed, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2019

Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease

por Belhassan, Assia, Chtita, Samir, Zaki, Hanane, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2020

Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach

por Belhassan, Assia, En-nahli, Fatima, Zaki, Hanane, Lakhlifi, Tahar, Bouachrine, Mohammed
Publicado 2020

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

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

QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory ac...

por Aouidate, Adnane, Ghaleb, Adib, Ghamali, Mounir, Chtita, Samir, Choukrad, M’barek, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2017

QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors

por Aouidate, Adnane, Ghaleb, Adib, Ghamali, Mounir, Chtita, Samir, Ousaa, Abdellah, Choukrad, M’barek, Sbai, Abdelouahid, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2018

QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors

por Chtita, Samir, Ghamali, Mounir, Ousaa, Abdellah, Aouidate, Adnane, Belhassan, Assia, Taourati, Abdelali Idrissi, Masand, Vijay Hariram, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2019

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

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

QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods

por Chtita, Samir, Belhassan, Assia, Bakhouch, Mohamed, Taourati, Abdelali Idrissi, Aouidate, Adnane, Belaidi, Salah, Moutaabbid, Mohammed, Belaaouad, Said, Bouachrine, Mohammed, Lakhlifi, Tahar
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

In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment

por Chtita, Samir, Fouedjou, Romuald Tematio, Belaidi, Salah, Djoumbissie, Loris Alvine, Ouassaf, Mebarka, Qais, Faizan Abul, Bakhouch, Mohamed, Efendi, Mohammed, Tok, Tugba Taskin, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2022

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations

por Chtita, Samir, Belaidi, Salah, Qais, Faizan Abul, Ouassaf, Mebarka, AlMogren, Muneerah Mogren, Al-Zahrani, Ateyah A., Bakhouch, Mohamed, Belhassan, Assia, Zaki, Hanane, Bouachrine, Mohammed, Lakhlifi, Tahar
Publicado 2022