In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamic...

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Sidhom, Peter A., Tawfeek, Ahmed M., Mekhemer, Gamal A. H., Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer
Publicado 2023

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

por Ibrahim, Mahmoud A.A., Mohamed, Eslam A.R., Abdelrahman, Alaa H.M., Allemailem, Khaled S., Moustafa, Mahmoud F., Shawky, Ahmed M., Mahzari, Ali, Hakami, Abdulrahim Refdan, Abdeljawaad, Khlood A.A., Atia, Mohamed A.M.
Publicado 2021

Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation

por Ibrahim, Mahmoud A. A., Abdelhamid, Mahmoud M. H., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Paré, Paul W., Hegazy, Mohamed-Elamir F., Shoeib, Tamer
Publicado 2023

SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Abdelhamid, Mahmoud M. H., Naeem, Mohamed Ahmed, Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2023

Chetomin, a SARS-CoV-2 3C-like Protease (3CL(pro)) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis

por Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Mohamed, Dina E. M., Abdeljawaad, Khlood A. A., Naeem, Mohamed Ahmed, Gabr, Gamal A., Shawky, Ahmed M., Soliman, Mahmoud E. S., Sidhom, Peter A., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2023

In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Roshdy, Eslam, Mohamed, Dina E. M., Ali, Taha F. S., Gabr, Gamal A., Jaragh-Alhadad, Laila A., Mekhemer, Gamal A. H., Shawky, Ahmed M., Sidhom, Peter A., Abdelrahman, Alaa H. M.
Publicado 2023

Non-β-Lactam Allosteric Inhibitors Target Methicillin-Resistant Staphylococcus aureus: An In Silico Drug Discovery Study

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Alzahrani, Othman R., Alshabrmi, Fahad M., Khalaf, Esraa, Moustafa, Mahmoud F., Alrumaihi, Faris, Allemailem, Khaled S., Soliman, Mahmoud E. S., Paré, Paul W., Hegazy, Mohamed-Elamir F., Atia, Mohamed A. M.
Publicado 2021

In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M(pro)) Inhibitors

por Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Mohamed, Tarik A., Atia, Mohamed A. M., Al-Hammady, Montaser A. M., Abdeljawaad, Khlood A. A., Elkady, Eman M., Moustafa, Mahmoud F., Alrumaihi, Faris, Allemailem, Khaled S., El-Seedi, Hesham R., Paré, Paul W., Efferth, Thomas, Hegazy, Mohamed-Elamir F.
Publicado 2021

Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study

por Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Jaragh-Alhadad, Laila A., Oraby, Hesham Farouk, Elkaeed, Eslam B., Mekhemer, Gamal A. H., Gabr, Gamal A., Shawky, Ahmed M., Sidhom, Peter A., Soliman, Mahmoud E. S., Moustafa, Mahmoud F., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Publicado 2022