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 …

Applications of density functional theory in COVID-19 drug modeling

N Ye, Z Yang, Y Liu - Drug discovery today, 2022 - Elsevier
The rapidly evolving Coronavirus 2019 (COVID-19) pandemic has led to millions of deaths
around the world, highlighting the pressing need to develop effective antiviral …

Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro …

D Elebeedy, WF Elkhatib, A Kandeil, A Ghanem… - RSC …, 2021 - pubs.rsc.org
Six compounds namely, tanshinone IIA (1), carnosic acid (2), rosmarinic acid (3), salvianolic
acid B (4), baicalein (5), and glycyrrhetinic acid (6) were screened for their anti-SARS-CoV-2 …

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 …

Telaprevir is a potential drug for repurposing against SARS-CoV-2: computational and in vitro studies

A Mahmoud, A Mostafa, AA Al-Karmalawy, A Zidan… - Heliyon, 2021 - cell.com
Drug repurposing is an important approach to the assignment of already approved drugs for
new indications. This technique bypasses some steps in the traditional drug approval …

[HTML][HTML] Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies

AA Zaki, A Ashour, SS Elhady, KM Darwish… - Journal of traditional and …, 2022 - Elsevier
Background and aim The discovery of drugs capable of inhibiting SARS-CoV-2 is a priority
for human beings due to the severity of the global health pandemic caused by COVID-19. To …

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 …

Investigating the structure–activity relationship of marine natural polyketides as promising SARS-CoV-2 main protease inhibitors

A El-Demerdash, AA Al-Karmalawy, TM Abdel-Aziz… - RSC …, 2021 - pubs.rsc.org
Since its first report in December 2019, the novel coronavirus virus, SARS-CoV-2, has
caused an unprecedented global health crisis and economic loss imposing a tremendous …

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 …