Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

S Boopathi, AB Poma, P Kolandaivel - Journal of Biomolecular …, 2021 - Taylor & Francis
In the past two decades, the world has faced several infectious disease outbreaks. Ebola,
Influenza A (H1N1), SARS, MERS, and Zika virus have had a massive global impact in terms …

Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review

S Ghahremanian, MM Rashidi, K Raeisi… - Journal of molecular …, 2022 - Elsevier
Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …

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 …

In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions

AH Hasan, NH Hussen, S Shakya, J Jamalis… - Structural Chemistry, 2022 - Springer
Abstract Coronavirus disease-2019 (COVID-19), a global pandemic, has currently infected
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …

Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from …

BK Kumar, n Faheem, KVGC Sekhar… - Journal of …, 2022 - Taylor & Francis
COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
primarily appeared in Wuhan, China, in December 2019. At present, no proper therapy and …

Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach

S Mahanta, P Chowdhury, N Gogoi… - Journal of …, 2021 - Taylor & Francis
Abstract The Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) which was
first reported in Wuhan province of China, has become a deadly pandemic causing …

Anti-HCV and anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation …

FS Hosseini, M Amanlou - Life sciences, 2020 - Elsevier
Abstract Aims Coronavirus disease 2019 (COVID-19) has appeared in Wuhan, China but
the fast transmission has led to its widespread prevalence in various countries, which has …

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach

SA Khan, K Zia, S Ashraf, R Uddin… - Journal of Biomolecular …, 2021 - Taylor & Francis
Recently, the world has witnessed outbreak of a novel Coronavirus (SARS-CoV-2), the virus
which initially emerged in Wuhan, China has now made its way to a large part of the world …

In-silico screening and molecular dynamics simulation of drug bank experimental compounds against SARS-CoV-2

NA Alturki, MM Mashraqi, A Alzamami, YS Alghamdi… - Molecules, 2022 - mdpi.com
For the last few years, the world has been going through a difficult time, and the reason
behind this is severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2), one of the …

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 …