In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamic... by Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Peter A. Sidhom, Ahmed M. Tawfeek, Gamal A. H. Mekhemer, Mohamed K. Abd El-Rahman, Eslam Dabbish, Tamer Shoeib

Get full text

In-silico natural product database mining for novel neuropilin-1 inhibitors: molecular docking, molecular dynamics and binding energy computations by Mahmoud A. A. Ibrahim, Sara S. M. Ali, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Gamal A. Gabr, Ahmed M. Shawky, Gamal A. H. Mekhemer, Peter A. Sidhom, Paul W. Paré, Mohamed-Elamir F. Hegazy

Get full text

Pyronaridine as a Bromodomain-Containing Protein 4-<i>N</i>-Terminal Bromodomain (BRD4-BD1) Inhibitor: <i>In Silico</i> Database Mining, Molecular Docking, and Molecular Dynamics S... by Mahmoud A. A. Ibrahim, Mahmoud M. H. Abdelhamid, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Gamal A. H. Mekhemer, Peter A. Sidhom, Shaban R. M. Sayed, Paul W. Paré, Mohamed-Elamir F. Hegazy, Tamer Shoeib

Get full text

Chetomin, a SARS-CoV-2 3C-like Protease (3CL^pro) Inhibitor: <i>In Silico</i> Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis by Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Dina E. M. Mohamed, Khlood A. A. Abdeljawaad, Mohamed Ahmed Naeem, Gamal A. Gabr, Ahmed M. Shawky, Mahmoud E. S. Soliman, Peter A. Sidhom, Paul W. Paré, Mohamed-Elamir F. Hegazy

Get full text

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents by Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Eslam Roshdy, Dina E. M. Mohamed, Taha F. S. Ali, Gamal A. Gabr, Laila A. Jaragh-Alhadad, Gamal A. H. Mekhemer, Ahmed M. Shawky, Peter A. Sidhom, Alaa H. M. Abdelrahman

Get full text

Non-<i>β</i>-Lactam Allosteric Inhibitors Target Methicillin-Resistant <i>Staphylococcus aureus</i>: An <i>In Silico</i> Drug Discovery Study by Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Othman R. Alzahrani, Fahad M. Alshabrmi, Esraa Khalaf, Mahmoud F. Moustafa, Faris Alrumaihi, Khaled S. Allemailem, Mahmoud E. S. Soliman, Paul W. Paré, Mohamed-Elamir F. Hegazy, Mohamed A. M. Atia

Get full text

Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study by Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Laila A. Jaragh-Alhadad, Mohamed A. M. Atia, Othman R. Alzahrani, Muhammad Naeem Ahmed, Moustafa Sherief Moustafa, Mahmoud E. S. Soliman, Ahmed M. Shawky, Paul W. Paré, Mohamed-Elamir F. Hegazy, Peter A. Sidhom

Get full text

In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M^pro) Inhibitors by Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Tarik A. Mohamed, Mohamed A. M. Atia, Montaser A. M. Al-Hammady, Khlood A. A. Abdeljawaad, Eman M. Elkady, Mahmoud F. Moustafa, Faris Alrumaihi, Khaled S. Allemailem, Hesham R. El-Seedi, Paul W. Paré, Thomas Efferth, Mohamed-Elamir F. Hegazy

Get full text

Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study by Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Laila A. Jaragh-Alhadad, Hesham Farouk Oraby, Eslam B. Elkaeed, Gamal A. H. Mekhemer, Gamal A. Gabr, Ahmed M. Shawky, Peter A. Sidhom, Mahmoud E. S. Soliman, Mahmoud F. Moustafa, Paul W. Paré, Mohamed-Elamir F. Hegazy

Get full text

Blue Biotechnology: Computational Screening of <i>Sarcophyton</i> Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition by Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Mohamed A. M. Atia, Tarik A. Mohamed, Mahmoud F. Moustafa, Abdulrahim R. Hakami, Shaden A. M. Khalifa, Fahad A. Alhumaydhi, Faris Alrumaihi, Syed Hani Abidi, Khaled S. Allemailem, Thomas Efferth, Mahmoud E. Soliman, Paul W. Paré, Hesham R. El-Seedi, Mohamed-Elamir F. Hegazy

Get full text