[HTML][HTML] Protein structure-based in-silico approaches to drug discovery: Guide to COVID-19 therapeutics

Y Gupta, OV Savytskyi, M Coban, A Venugopal… - Molecular Aspects of …, 2023 - Elsevier
With more than 5 million fatalities and close to 300 million reported cases, COVID-19 is the
first documented pandemic due to a coronavirus that continues to be a major health …

Integrating Artificial Intelligence for Drug Discovery in the Context of Revolutionizing Drug Delivery

AI Visan, I Negut - Life, 2024 - mdpi.com
Drug development is expensive, time-consuming, and has a high failure rate. In recent
years, artificial intelligence (AI) has emerged as a transformative tool in drug discovery …

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] Bioactive polyphenolic compounds showing strong antiviral activities against severe acute respiratory syndrome coronavirus 2

A Kandeil, A Mostafa, O Kutkat, Y Moatasim… - Pathogens, 2021 - mdpi.com
Until now, there has been no direct evidence of the effectiveness of repurposed FDA-
approved drugs against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) …

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 …

Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo …

HA El Gizawy, SA Boshra, A Mostafa, SH Mahmoud… - Molecules, 2021 - mdpi.com
In response to the urgent need to control Coronavirus disease 19 (COVID-19), this study
aims to explore potential anti-SARS-CoV-2 agents from natural sources. Moreover, cytokine …

In vitro potential antiviral SARS-CoV-19-activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa

ER Esharkawy, F Almalki, TB Hadda - Bioorganic Chemistry, 2022 - Elsevier
Inflammation, oxidation, and compromised immunity all increase the dangers of COVID-19,
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …

Computational insights on the potential of some NSAIDs for treating COVID-19: priority set and lead optimization

A Abo Elmaaty, MIA Hamed, MI Ismail, E B. Elkaeed… - Molecules, 2021 - mdpi.com
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 this end, repurposing …

Robust antiviral activity of commonly prescribed antidepressants against emerging coronaviruses: in vitro and in silico drug repurposing studies

O Kutkat, Y Moatasim, AA Al‐Karmalawy… - Scientific Reports, 2022 - nature.com
During the current coronavirus disease 2019 (COVID-19) pandemic, symptoms of
depression are commonly documented among both symptomatic and asymptomatic …
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