In silico virtual screening, characterization, docking and molecular dynamics studies of crucial SARS-CoV-2 proteins

M Alazmi, O Motwalli - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
The ongoing pandemic COVID-19 (COrona Virus Immuno Deficiency-2019) which is caused
by SARS-CoV-2 (Severe Acute Respiratory Syndrome–CoronaVirus-2) has emerged as a …

Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation

D Kumar, K Kumari, VK Vishvakarma… - Journal of …, 2021 - Taylor & Francis
Abstract Coronavirus disease-2019 (COVID-19) is a global health emergency and the matter
of serious concern, which has been declared a pandemic by WHO. Till date, no potential …

Deciphering underlying mechanism of Sars-CoV-2 infection in humans and revealing the therapeutic potential of bioactive constituents from Nigella sativa to combat COVID19 …

R Jakhmola Mani, N Sehgal, N Dogra… - Journal of …, 2022 - Taylor & Francis
COVID-19, emerged at the end of 2019 have dramatically threatened the health, economy,
and social mobility of people around the world and till date no medication is available for its …

In Silico molecular docking and dynamic analysis of natural compounds against major non-structural proteins of SARS-COV-2

MU Rehman, A Ali, R Ansar, A Arafah… - Journal of …, 2023 - Taylor & Francis
COVID-19 has infected millions and significantly affected the global economy and
healthcare systems. Despite continuous lockdowns, symptomatic management with …

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

S Mahmud, MAR Uddin, M Zaman… - Journal of …, 2021 - Taylor & Francis
Newly emerged SARS-CoV-2 made recent pandemic situations across the globe is
accountable for countless unwanted death and insufferable panic associated with co …

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 …

In silico investigation of spice molecules as potent inhibitor of SARS-CoV-2

J Rout, BC Swain, U Tripathy - Journal of Biomolecular Structure …, 2022 - Taylor & Francis
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel infectious
disease that is in rapid growth. Several trials are going on worldwide to find a solution for …

[HTML][HTML] In silico molecular docking: Evaluation of coumarin based derivatives against SARS-CoV-2

SK Chidambaram, D Ali, S Alarifi… - Journal of Infection and …, 2020 - Elsevier
Background The unique anthropological coronavirus which has been titled as SARS-CoV-2
was originally arisen in late 2019 in Wuhan, China affecting respiratory infection named as …

Traditional medicinal plants against replication, maturation and transmission targets of SARS-CoV-2: computational investigation

P Mondal, J Natesh, AA Abdul Salam… - Journal of …, 2022 - Taylor & Francis
COVID-19 is an infectious pandemic caused by the SARS-CoV-2 virus. The critical
components of SARS-CoV-2 are the spike protein (S-protein) and the main protease (Mpro) …

In silico screening predicts common cold drug Dextromethorphan along with Prednisolone and Dexamethasone can be effective against novel Coronavirus disease …

I Sarkar, A Sen - Journal of Biomolecular Structure and Dynamics, 2022 - Taylor & Francis
The ongoing outbreak of Coronavirus disease 2019 (COVID-19) is a matter of great concern.
Although the mortality rate caused by this virus is less than that of SARS and MERS, it is …