In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases

by Faisal A. Almalki, Ashraf N. Abdalla, Ahmed M. Shawky, Mahmoud A. El Hassab, Ahmed M. Gouda
Published 2021-06-01

Identification of a New Potential SARS-COV-2 RNA-Dependent RNA Polymerase Inhibitor via Combining Fragment-Based Drug Design, Docking, Molecular Dynamics, and MM-PBSA Calculations

by Mahmoud A. El Hassab, Aly A. Shoun, Sara T. Al-Rashood, Tarfah Al-Warhi, Wagdy M. Eldehna
Published 2020-10-01

In silico identification of novel SARS-COV-2 2′-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM-PBSA approaches

by Mahmoud A. El Hassab, Tamer M. Ibrahim, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Wagdy M. Eldehna
Published 2021-01-01

Unexpected Synthesis, Single-Crystal X-ray Structure, Anticancer Activity, and Molecular Docking Studies of Certain 2–((Imidazole/Benzimidazol–2–yl)thio)–1–arylethanones

by Tarfah Al-Warhi, Mohamed A. Said, Mahmoud A. El Hassab, Nada Aljaeed, Hazem A. Ghabour, Hadia Almahli, Wagdy M. Eldehna, Hatem A. Abdel-Aziz
Published 2020-05-01

Toward the Identification of Potential α-Ketoamide Covalent Inhibitors for SARS-CoV-2 Main Protease: Fragment-Based Drug Design and MM-PBSA Calculations

by Mahmoud A. El Hassab, Mohamed Fares, Mohammed K. Abdel-Hamid Amin, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Hamad M. Alkahtani, Wagdy M. Eldehna
Published 2021-06-01

Development of novel isatin–nicotinohydrazide hybrids with potent activity against susceptible/resistant Mycobacterium tuberculosis and bronchitis causing–bacteria

by Zainab M. Elsayed, Wagdy M. Eldehna, Marwa M. Abdel-Aziz, Mahmoud A. El Hassab, Eslam B. Elkaeed, Tarfah Al-Warhi, Hatem A. Abdel-Aziz, Sahar M. Abou-Seri, Eman R. Mohammed
Published 2021-01-01