[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds

I Antonopoulou, E Sapountzaki, U Rova… - Computational and …, 2022 - Elsevier
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …

A systematic review of the global intervention for SARS-CoV-2 combating: from drugs repurposing to molnupiravir approval

NA Ashour, A Abo Elmaaty, AA Sarhan… - Drug design …, 2023 - Taylor & Francis
The rising outbreak of SARS-CoV-2 continues to unfold all over the world. The development
of novel effective antiviral drugs to fight against SARS-CoV-2 is a time cost. As a result, some …

Design, synthesis, and SAR studies of novel 4-methoxyphenyl pyrazole and pyrimidine derivatives as potential dual tyrosine kinase inhibitors targeting both EGFR …

AM El-Naggar, AMA Hassan, EB Elkaeed… - Bioorganic …, 2022 - Elsevier
Guided by the pharmacophoric features of both EGFR and VEGFR-2 antagonists, two novel
series of 4-methoxyphenyl pyrazole and pyrimidine derivatives [(4a-c) and (5a-c, 6, 7a-c, 8 …

In silico and in vitro studies for benzimidazole anthelmintics repurposing as VEGFR-2 antagonists: novel mebendazole-loaded mixed micelles with enhanced …

AA Elmaaty, KM Darwish, A Chrouda, AA Boseila… - ACS …, 2021 - ACS Publications
Cancer is a leading cause of death worldwide and its incidence is unfortunately anticipated
to rise in the next years. On the other hand, vascular endothelial growth factor receptor 2 …

[HTML][HTML] Naturally available flavonoid aglycones as potential antiviral drug candidates against SARS-CoV-2

AA Al-Karmalawy, MM Farid, A Mostafa, AY Ragheb… - Molecules, 2021 - mdpi.com
Flavonoids are important secondary plant metabolites that have been studied for a long time
for their therapeutic potential in inflammatory diseases because of their cytokine-modulatory …

In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

D Elebeedy, I Badawy, AA Elmaaty, MM Saleh… - Computers in biology …, 2022 - Elsevier
Seasonal human influenza is a serious respiratory infection caused by influenza viruses that
can be found all over the world. Type A influenza is a contagious viral infection that, if left …

Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential …

MM Hammoud, M Khattab, M Abdel-Motaal… - Journal of …, 2023 - Taylor & Francis
In this article, we describe a set of subsequent five-steps chemical reactions to synthesize a
ferrocene derivative named 1-(5-(diphenylphosphaneyl) cyclopenta-1, 3-dien-1-yl) ethyl) …

Newly synthesized series of oxoindole–oxadiazole conjugates as potential anti-SARS-CoV-2 agents: In silico and in vitro studies

RM El-Masry, AA Al-Karmalawy, R Alnajjar… - New Journal of …, 2022 - pubs.rsc.org
In this study, a series of 1, 3, 4-oxadiazoles carrying the isatin moiety (IVa–g) as anti-SARS-
CoV-2 agents were designed and synthesized. Molecular docking of the compounds (IVa–g) …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

[HTML][HTML] Potential valorization of edible nuts by-products: exploring the immune-modulatory and antioxidants effects of selected nut shells extracts in relation to their …

MA Salem, NM Aborehab, AA Al-Karmalawy, AR Fernie… - Antioxidants, 2022 - mdpi.com
The immune system is a potent army that defends our body against various infections and
diseases through innate and adaptive immunity. Herbal medicine is one of the essential …