M
Mahmoud A. A. Ibrahim
Researcher at Minia University
Publications - 129
Citations - 1889
Mahmoud A. A. Ibrahim is an academic researcher from Minia University. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 18, co-authored 71 publications receiving 1026 citations. Previous affiliations of Mahmoud A. A. Ibrahim include University of Manchester.
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Molecular mechanical study of halogen bonding in drug discovery
TL;DR: This research is the first reported molecular mechanical study of halogen bonding, the positive region centered on the halogen atom was represented by an extra‐point (EP) of charge, which resulted in an improvement in the accuracy of the electrostatic‐potential derived charges.
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In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors.
Mahmoud A. A. Ibrahim,Alaa H.M. Abdelrahman,Taha A. Hussien,Esraa A A Badr,Tarik A. Mohamed,Hesham R. El-Seedi,Hesham R. El-Seedi,Paul W. Paré,Thomas Efferth,Mohamed-Elamir F. Hegazy +9 more
TL;DR: Salvianolic acid A is established as an in silico natural product inhibitor against the SARS-CoV-2 main protease and provides a promising inhibitor lead for in vitro enzyme testing.
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Molecular mechanical perspective on halogen bonding.
TL;DR: Molecular mechanics using the APCtMI approach showed that electrostatic interactions between chloromethane and a Lewis base are unfavorable owing to the high negative charge on the chlorine atom, which overcomes the corresponding favorable van der Waals interactions.
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Natural-like products as potential SARS-CoV-2 Mpro inhibitors: in-silico drug discovery
Mahmoud A. A. Ibrahim,Khlood A.A. Abdeljawaad,Alaa H.M. Abdelrahman,Mohamed-Elamir F. Hegazy +3 more
TL;DR: In-silico drug discovery approaches have been utilized to identify potential natural products (NPs) as Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) inhibitors and the prospects of the identified NLPs as potential drug candidates are revealed.
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Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease.
Mahmoud Kandeel,Mahmoud Kandeel,Alaa H.M. Abdelrahman,Kentaro Oh-hashi,Abdelazim Ibrahim,Katharigatta N. Venugopala,Mohamed A. Morsy,Mahmoud A. A. Ibrahim +7 more
TL;DR: Phenformin, quercetin, and ritonavir all demonstrated prospective binding affinities for COVID-19 PLpro over 50 ns MD simulations, with binding energy values of −56.6, −40.9, and −37.6 kcal/mol, respectively.