Potential of Marine Terpenoids against SARS-CoV-2: An In Silico Drug Development Approach

A Sahoo, S Fuloria, SS Swain, SK Panda, M Sekar… - Biomedicines, 2021 - mdpi.com
In an emergency, drug repurposing is the best alternative option against newly emerged
severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection. However, several …

Discovery of Natural Bisbenzylisoquinoline Analogs from the Library of Thai Traditional Plants as SARS-CoV-2 3CLPro Inhibitors: In Silico Molecular Docking, Molecular …

N Khamto, K Utama, S Tateing… - Journal of Chemical …, 2023 - ACS Publications
The emergence of SARS-CoV-2 in December 2019 has become a global issue due to the
continuous upsurge in patients and the lack of drug efficacy for treatment. SARS-CoV-2 …

The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic …

DA Abdelrheem, SA Ahmed… - … Science and Health …, 2020 - Taylor & Francis
This work aimed at evaluating the inhibitory effect of ten natural bioactive compounds (1–10)
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …

Recognition of natural products as potential inhibitors of COVID-19 main protease (Mpro): In-silico evidences

RR Narkhede, AV Pise, RS Cheke… - Natural products and …, 2020 - Springer
Abstract SARS-CoV-2 (2019-nCoV) emerged in 2019 and proliferated rapidly across the
globe. Scientists are attempting to investigate antivirals specific to COVID-19 treatment. The …

In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2

A Sharma, S Goyal, AK Yadav, P Kumar… - Journal of Biomolecular …, 2022 - Taylor & Francis
Abstract Novel Coronavirus or SARS-CoV-2 outbreak has developed a pandemic condition
all over the world. The virus is highly infectious and spreads by human to human local …

Computational investigation of benzalacetophenone derivatives against SARS-CoV-2 as potential multi-target bioactive compounds

P Khanal, VS Patil, VV Bhandare, PSR Dwivedi… - Computers in Biology …, 2022 - Elsevier
Benzalacetophenones, precursors of flavonoids are aromatic ketones and enones and
possess the immunostimulant as well as antiviral activities. Thus, benzalacetophenones …

Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approach

K Lokhande, N Nawani… - Journal of …, 2022 - Taylor & Francis
The recent outbreak of SARS-CoV-2 has quickly become a worldwide pandemic and
generated panic threats for both the human population and the global economy. The …

[HTML][HTML] Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness …

M Rudrapal, N Gogoi, D Chetia, J Khan… - Saudi journal of …, 2022 - Elsevier
In view of the potential of traditional plant-based remedies (or phytomedicines) in the
management of COVID-19, the present investigation was aimed at finding novel anti-SARS …

Multidimensional in silico strategy for identification of natural polyphenols-based SARS-CoV-2 main protease (Mpro) inhibitors to unveil a hope against COVID-19

Ş Adem, V Eyupoglu, IM Ibrahim, I Sarfraz… - Computers in biology …, 2022 - Elsevier
Abstract SARS-CoV-2, a rapidly spreading new strain of human coronavirus, has affected
almost all the countries around the world. The lack of specific drugs against SARS-CoV-2 is …

[HTML][HTML] A small molecule compound berberine as an orally active therapeutic candidate against COVID‐19 and SARS: A computational and mechanistic study

ZZ Wang, K Li, AR Maskey, W Huang… - The FASEB …, 2021 - ncbi.nlm.nih.gov
The novel coronavirus disease, COVID‐19, has grown into a global pandemic and a major
public health threat since its breakout in December 2019. To date, no specific therapeutic …