Prospecting for Cressa cretica to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2
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 …
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 …
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 …
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 …
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
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 …
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 …
(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 …
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 …
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 …
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 …
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
Abstract Coronavirus disease 2019 (COVID-19) is a global pandemic infecting the
respiratory system through a notorious virus known as the severe acute respiratory …
respiratory system through a notorious virus known as the severe acute respiratory …