Prospecting for Cressa cretica to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2

S Shah, D Chaple, S Arora, S Yende… - Journal of …, 2022 - Taylor & Francis
The severe acute respiratory syndrome COVID-19 declared as a global pandemic by the
World Health Organization has become the present wellbeing worry to the whole world …

Identification of natural inhibitors against SARS-CoV-2 drugable targets using molecular docking, molecular dynamics simulation, and MM-PBSA approach

PP Kushwaha, AK Singh, T Bansal, A Yadav… - Frontiers in Cellular …, 2021 - frontiersin.org
The present study explores the SARS-CoV-2 drugable target inhibition efficacy of
phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics …

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations

TI Adelusi, AQK Oyedele, OE Monday… - Journal of Molecular …, 2022 - Elsevier
The recent evolution of the SARS-like Coronavirus has ravaged the world. The deadly virus
has claimed over millions of lives across the world and hence highlights the need to develop …

Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

VK Bhardwaj, R Singh, J Sharma… - Journal of …, 2021 - Taylor & Francis
The SARS-CoV-2 is the causative agent of COVID-19 pandemic that is causing a global
health emergency. The lack of targeted therapeutics and limited treatment options have …

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

A Kumar, G Choudhir, SK Shukla… - Journal of …, 2021 - Taylor & Francis
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that
causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the …

The impact of curcumin derived polyphenols on the structure and flexibility COVID-19 main protease binding pocket: a molecular dynamics simulation study

A Mulu, M Gajaa, HB Woldekidan - PeerJ, 2021 - peerj.com
The newly occurred SARS-CoV-2 caused a leading pandemic of coronavirus disease
(COVID-19). Up to now it has infected more than one hundred sixty million and killed more …

[PDF][PDF] Herbal compounds from Syzygium aromaticum and Cassia acutifolia as a shield against SARS-CoV-2 Mpro: A molecular docking approach

G Yunus - Biointerface Res. Appl. Chem, 2021 - biointerfaceresearch.com
Novel coronavirus (severe acute respiratory syndrome coronavirus 2; SARS-CoV-2) was first
identified in China in December 2019. Currently, the novel coronavirus disease 2019 …

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 …

[HTML][HTML] Repurposing potential of Ayurvedic medicinal plants derived active principles against SARS-CoV-2 associated target proteins revealed by molecular docking …

AK Verma, V Kumar, S Singh, BC Goswami… - Biomedicine & …, 2021 - Elsevier
All the plants and their secondary metabolites used in the present study were obtained from
Ayurveda, with historical roots in the Indian subcontinent. The selected secondary …

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 …