Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (Mpro): a computational study

U Patel, K Desai, RC Dabhi, JJ Maru… - Journal of Molecular …, 2023 - Springer
Context The persistent spread of highly contagious COVID-19 disease is one of the
deadliest occurrences in the history of mankind. Despite the distribution of numerous …

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 …

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 …

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 …

Structure-based computational screening of 470 natural quercetin derivatives for identification of SARS-CoV-2 Mpro inhibitor

AK Umar, JH Zothantluanga, JA Luckanagul… - PeerJ, 2023 - peerj.com
Abstract Coronavirus disease 2019 (COVID-19) is a global pandemic infecting the
respiratory system through a notorious virus known as the severe acute respiratory …

Identification of a promising inhibitor from Illicium verum (star anise) against the main protease of SARS-CoV-2: insights from the computational study

MK Tripathi, P Singh, M Kumar, K Sharma… - Journal of …, 2023 - Taylor & Francis
Abstract SARS-CoV-2, the causing agent of coronavirus disease (COVID-19), first broke out
in Wuhan and rapidly spread worldwide, resulting in a global health emergency. The lack of …

Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus

CN Patel, SP Jani, SP Kumar, KM Modi… - Computers in Biology and …, 2022 - Elsevier
Abstract The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) is significantly impacting human lives …

Comprehensive in silico screening of flavonoids against SARS-CoV-2 main protease

MS Moezzi - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
In the current pandemic caused by the new coronavirus (SARS-CoV-2), computational drug
discovery can play an essential role in finding potential therapeutic agents. Thanks to its anti …

A Computational Approach to Elucidate the Interactions of Chemicals From Artemisia annua Targeted Toward SARS-CoV-2 Main Protease Inhibition for COVID-19 …

TO Johnson, AE Adegboyega, OA Ojo, AJ Yusuf… - Frontiers in …, 2022 - frontiersin.org
The inhibitory potential of Artemisia annua, a well-known antimalarial herb, against several
viruses, including the coronavirus, is increasingly gaining recognition. The plant extract has …

Phytoconstituents as potential therapeutic agents against COVID-19: a computational study on inhibition of SARS-CoV-2 main protease

A Alsrhani, A Farhana, YS Khan… - Journal of …, 2023 - Taylor & Francis
Abstract The Coronavirus disease 2019 (COVID-19) pandemic caused by severe acute
respiratory syndrome coronavirus 2 (SARS‑CoV‑2) has become a global health crisis, and …