Potential of Plant Bioactive Compounds as SARS‐CoV‐2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study

TE Tallei, SG Tumilaar, NJ Niode, fnm Fatimawali… - …, 2020 - Wiley Online Library
Since the outbreak of the COVID‐19 (coronavirus disease 19) pandemic, researchers have
been trying to investigate several active compounds found in plants that have the potential to …

[HTML][HTML] In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19

DM Teli, MB Shah, MT Chhabria - Frontiers in molecular biosciences, 2021 - frontiersin.org
Historically, plants have been sought after as bio-factories for the production of diverse
chemical compounds that offer a multitude of possibilities to cure diseases. To combat the …

[HTML][HTML] Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies

SA Cherrak, H Merzouk, N Mokhtari-Soulimane - Plos one, 2020 - journals.plos.org
A novel coronavirus responsible of acute respiratory infection closely related to SARS-CoV
has recently emerged. So far there is no consensus for drug treatment to stop the spread of …

ADMET profile and virtual screening of plant and microbial natural metabolites as SARS-CoV-2 S1 glycoprotein receptor binding domain and main protease inhibitors

S Padhi, M Masi, R Chourasia, Y Rajashekar… - European journal of …, 2021 - Elsevier
In an attempt to search for selective inhibitors against the SARS-CoV-2 which caused
devastating of lives and livelihoods across the globe, 415 natural metabolites isolated from …

[HTML][HTML] In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (Mpro)

VA Falade, TI Adelusi, IO Adedotun… - In Silico …, 2021 - Springer
It is no longer news that a novel strain of coronavirus named SARS-CoV-2 is ravaging the
health sector worldwide, several attempts have been made to curtail this pandemic via …

Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets

S Mahmud, MA Mita, S Biswas, GK Paul… - Expert Review of …, 2021 - Taylor & Francis
Background The high transmission and pathogenicity of SARS-CoV-2 has led to a pandemic
that has halted the world's economy and health. The newly evolved strains and scarcity of …

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 …

Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic

Z Fakhar, B Faramarzi, S Pacifico… - Journal of Biomolecular …, 2021 - Taylor & Francis
A new pathogen severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
spread worldwide and become pandemic with thousands new deaths and infected cases …

[HTML][HTML] In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease

O Yañez, MI Osorio, E Uriarte, C Areche… - Frontiers in …, 2021 - frontiersin.org
The pandemic that started in Wuhan (China) in 2019 has caused a large number of deaths,
and infected people around the world due to the absence of effective therapy against …

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2

M Rudrapal, AR Issahaku, C Agoni… - Journal of …, 2022 - Taylor & Francis
Due to the unavailability specific drugs or vaccines (FDA approved) that can cure COVID-19,
the development of potent antiviral drug candidates/therapeutic molecules against COVID …