An updated review of computer‐aided drug design and its application to COVID‐19

AB Gurung, MA Ali, J Lee, MA Farah… - BioMed research …, 2021 - Wiley Online Library
The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …

[HTML][HTML] Polyphenols and their potential role to fight viral diseases: An overview

MF Montenegro-Landívar, P Tapia-Quirós… - Science of the Total …, 2021 - Elsevier
Fruits, vegetables, spices, and herbs are a potential source of phenolic acids and
polyphenols. These compounds are known as natural by-products or secondary metabolites …

Using X-ray images and deep learning for automated detection of coronavirus disease

K El Asnaoui, Y Chawki - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Coronavirus is still the leading cause of death worldwide. There are a set number of COVID-
19 test units accessible in emergency clinics because of the expanding cases daily …

Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation …

R Ghosh, A Chakraborty, A Biswas… - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract Coronavirus disease 2019 (COVID-19) is a viral respiratory disease which caused
global health emergency and announced as pandemic disease by World Health …

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development

P Pandey, JS Rane, A Chatterjee, A Kumar… - Journal of …, 2021 - Taylor & Francis
Spike glycoprotein, a class I fusion protein harboring the surface of SARS-CoV-2 (SARS-
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …

[HTML][HTML] Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

C Shivanika, D Kumar, V Ragunathan… - … structure & dynamics, 2020 - ncbi.nlm.nih.gov
The study aims to evaluate the potency of two hundred natural antiviral phytocompounds
against the active site of the Severe Acquired Respiratory Syndrome-Coronavirus− 2 (SARS …

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

A Kumar, G Choudhir, SK Shukla… - Journal of …, 2021 - Taylor & Francis
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that
causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the …

[HTML][HTML] Hesperidin and SARS-CoV-2: New light on the healthy function of citrus fruits

P Bellavite, A Donzelli - Antioxidants, 2020 - mdpi.com
Among the many approaches to Coronavirus disease 2019 (COVID-19) prevention, the
possible role of nutrition has so far been rather underestimated. Foods are very rich in …

Potential SARS-CoV-2 main protease inhibitors

R Banerjee, L Perera, LMV Tillekeratne - Drug Discovery Today, 2021 - Elsevier
Highlights•The SARS-CoV-2 main protease is a prime drug target.•Coronavirus main
proteases share a structurally conserved substrate-binding region.•The structure and …

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

SA Amin, S Banerjee, K Ghosh, S Gayen… - Bioorganic & medicinal …, 2021 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) brutally perils physical and
mental health worldwide. Unavailability of effective anti-viral drug rendering global threat of …