Study of combining virtual screening and antiviral treatments of the Sars-CoV-2 (Covid-19)

E Khodadadi, P Maroufi, E Khodadadi, I Esposito… - Microbial …, 2020 - Elsevier
The recent epidemic outbreak of a novel human coronavirus called SARS-CoV-2 and
causing the respiratory tract disease COVID-19 has reached worldwide resonance and a …

Structure-based virtual screening to discover potential lead molecules for the SARS-CoV-2 main protease

A Gahlawat, N Kumar, R Kumar… - Journal of chemical …, 2020 - ACS Publications
The COVID-19 disease is caused by a new strain of the coronavirus family (SARS-CoV-2),
and it has affected at present millions of people all over the world. The indispensable role of …

Structure-based virtual screening and biochemical validation to discover a potential inhibitor of the SARS-CoV-2 main protease

A Gupta, C Rani, P Pant, V Vijayan, N Vikram… - ACS …, 2020 - ACS Publications
The recent pandemic caused by SARS-CoV-2 has led the world to a standstill, causing a
medical and economic crisis worldwide. This crisis has triggered an urgent need to discover …

[PDF][PDF] Virtual Screening based prediction of potential drugs for COVID-19

T Sekhar - Combinatorial Chemistry & High Throughput Screening, 2020 - researchgate.net
SARS-CoV-2 is the betacoronavirus responsible for the COVID-19 pandemic. It was listed as
a potential global health threat by WHO due to high mortality, high basic reproduction …

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors

A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
The global emergency caused by COVID-19 makes the discovery of drugs capable of
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …

[HTML][HTML] Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target

JT Ortega, ML Serrano, FH Pujol, HR Rangel - EXCLI journal, 2020 - ncbi.nlm.nih.gov
Direct-acting antivirals are effective tools to control viral infections. SARS-CoV-2 is a
coronavirus associated with the epidemiological outbreak in late 2019. Previous reports …

High throughput virtual screening to discover inhibitors of the main protease of the coronavirus SARS-CoV-2

OO Olubiyi, M Olagunju, M Keutmann, J Loschwitz… - Molecules, 2020 - mdpi.com
We use state-of-the-art computer-aided drug design (CADD) techniques to identify
prospective inhibitors of the main protease enzyme, 3CLpro of the severe acute respiratory …

Putative SARS-CoV-2 Mpro Inhibitors from an In-House Library of Natural and Nature-Inspired Products: A Virtual Screening and Molecular Docking Study

S Mazzini, L Musso, S Dallavalle, R Artali - Molecules, 2020 - mdpi.com
A novel coronavirus (severe acute respiratory syndrome coronavirus 2, SARS-CoV-2) has
been the cause of a recent global pandemic. The highly contagious nature of this life …

A revisit to the research updates of drugs, vaccines, and bioinformatics approaches in combating COVID-19 pandemic

TA Sumon, MA Hussain, MT Hasan… - Frontiers in Molecular …, 2021 - frontiersin.org
A new strain of coronavirus severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
responsible for the coronavirus disease 2019 (COVID-19) pandemic was first detected in the …

Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease

M Kandeel, M Al-Nazawi - Life sciences, 2020 - Elsevier
Abstract Aims In December 2019, the Coronavirus disease-2019 (COVID-19) virus has
emerged in Wuhan, China. In this research, the first resolved COVID-19 crystal structure …