[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 …

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 …

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 …

[HTML][HTML] Efficacy of Phytochemicals Derived from Avicennia officinalis for the Management of COVID-19: A Combined In Silico and Biochemical Study

S Mahmud, GK Paul, M Afroze, S Islam, SBR Gupt… - Molecules, 2021 - mdpi.com
The recent coronavirus disease 2019 (COVID-19) pandemic is a global threat for healthcare
management and the economic system, and effective treatments against the pathogenic …

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic …

A Parihar, ZF Sonia, F Akter, MA Ali, FT Hakim… - Computers in Biology …, 2022 - Elsevier
The ongoing COVID-19 pandemic has affected millions of people worldwide and caused
substantial socio-economic losses. Few successful vaccine candidates have been approved …

[HTML][HTML] Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive …

AK Umar, JH Zothantluanga, K Aswin, S Maulana… - Structural …, 2022 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected billions and
has killed millions to date. Studies are being carried out to find therapeutic molecules that …

Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches

HM Rehman, M Sajjad, MA Ali, R Gul, M Naveed… - International Journal of …, 2023 - Elsevier
The outbreak of novel Coronavirus, an enduring pandemic declared by WHO, has
consequences to an alarming ongoing public health menace which has already claimed …

[HTML][HTML] In silico bioprospecting of taraxerol as a main protease inhibitor of SARS-CoV-2 to develop therapy against COVID-19

S Mujwar, RK Harwansh - Structural Chemistry, 2022 - Springer
COVID-19 was caused by a novel coronavirus known as SARS-CoV-2. The COVID-19
disease outbreak has been avowed as a global pandemic by the World Health Organization …

Potential RNA-dependent RNA polymerase (RdRp) inhibitors as prospective drug candidates for SARS-CoV-2

MS Bekheit, SS Panda, AS Girgis - European Journal of Medicinal …, 2023 - Elsevier
The SARS-CoV-2 pandemic is considered as one of the most disastrous pandemics for
human health and the world economy. RNA-dependent RNA polymerase (RdRp) is one of …

[HTML][HTML] Evaluation of clove phytochemicals as potential antiviral drug candidates targeting SARS-CoV-2 Main protease: computational docking, molecular dynamics …

A Chandra Manivannan, A Malaisamy… - Frontiers in Molecular …, 2022 - frontiersin.org
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus can cause a
sudden respiratory disease spreading with a high mortality rate arising with unknown …