Flavonols as potential antiviral drugs targeting SARS-CoV-2 proteases (3CLpro and PLpro), spike protein, RNA-dependent RNA polymerase (RdRp) and angiotensin …

C Mouffouk, S Mouffouk, S Mouffouk… - European journal of …, 2021 - Elsevier
The novel coronavirus outbreak (COVID-19) caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) represents the actual greatest global public health crisis. The …

[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 …

Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants–Emblica officinalis (Amla), Phyllanthus niruri Linn …

S Murugesan, S Kottekad, I Crasta… - Computers in biology …, 2021 - Elsevier
Abstract Coronavirus Disease-2019 (COVID-19), a viral disease caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by …

Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: an in silico docking and molecular dynamics simulation approach

R Majumder, M Mandal - Journal of Biomolecular Structure and …, 2022 - Taylor & Francis
A new strain of coronavirus (CoV) has been identified as SARS-CoV-2, which is responsible
for the recent COVID-19 pandemic. Currently, there is no approved vaccine or drug …

Promising Schiff bases in antiviral drug design and discovery

S Kaushik, SK Paliwal, MR Iyer, VM Patil - Medicinal Chemistry Research, 2023 - Springer
Emerging and re-emerging illnesses will probably present a new hazard of infectious
diseases and have fostered the urge to research new antiviral agents. Most of the antiviral …

[HTML][HTML] A traditional Chinese medicine formula NRICM101 to target COVID-19 through multiple pathways: A bedside-to-bench study

KC Tsai, YC Huang, CC Liaw, CI Tsai, CT Chiou… - Biomedicine & …, 2021 - Elsevier
COVID-19 is a global pandemic, with over 50 million confirmed cases and 1.2 million deaths
as of November 11, 2020. No therapies or vaccines so far are recommended to treat or …

[HTML][HTML] Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study

S Mahmud, S Biswas, GK Paul, MA Mita… - Arabian journal of …, 2021 - Elsevier
The recent coronavirus outbreak has changed the world's economy and health sectors due
to the high mortality and transmission rates. Because the development of new effective …

Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation

A Samad, A Ajmal, A Mahmood, B Khurshid… - Frontiers in Molecular …, 2023 - frontiersin.org
The new coronavirus SARS-COV-2, which emerged in late 2019 from Wuhan city of China
was regarded as causing agent of the COVID-19 pandemic. The primary protease which is …

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 …

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

MAA Ibrahim, EAR Mohamed… - Journal of Molecular …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) is a new pandemic characterized by quick
spreading and illness of the respiratory system. To date, there is no specific therapy for …