Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CL(pro) enzyme for COVID-19 therapy: a computer-aided drug design appro...

por Daoui, Ossama, Elkhattabi, Souad, Chtita, Samir
Publicado 2022

Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and biophysical simulations

por Daoui, Ossama, Mali, Suraj N., Elkhattabi, Kaouakeb, Elkhattabi, Souad, Chtita, Samir
Publicado 2023

QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor agents throug...

por Daoui, Ossama, Elkhattabi, Souad, Chtita, Samir, Elkhalabi, Rachida, Zgou, Hsaine, Benjelloun, Adil Touimi
Publicado 2021

Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of liquiritigenin derivatives

por Nour, Hassan, Daoui, Ossama, Abchir, Oussama, ElKhattabi, Souad, Belaidi, Salah, Chtita, Samir
Publicado 2022

Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach

por Daoui, Ossama, Elkhattabi, Souad, Bakhouch, Mohamed, Belaidi, Salah, Bhandare, Richie R., Shaik, Afzal B., Mali, Suraj N., Chtita, Samir
Publicado 2023

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents

por Daoui, Ossama, Mazoir, Noureddine, Bakhouch, Mohamed, Salah, Mohammed, Benharref, Ahmed, Gonzalez-Coloma, Azucena, Elkhattabi, Souad, Yazidi, Mohamed El, Chtita, Samir
Publicado 2022