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 …

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 …

Structure-Based Discovery of Novel Nonpeptide Inhibitors Targeting SARS-CoV-2 Mpro

J Yang, X Lin, N Xing, Z Zhang, H Zhang… - Journal of Chemical …, 2021 - ACS Publications
The continual spread of novel coronavirus disease 2019 (COVID-19) is caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), posing a severe threat to the …

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening

J Rubio-Martínez, A Jiménez-Alesanco… - Journal of chemical …, 2021 - ACS Publications
SARS-CoV-2 is a type of coronavirus responsible for the international outbreak of respiratory
illness termed COVID-19 that forced the World Health Organization to declare a pandemic …

Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies

S Gupta, AK Singh, PP Kushwaha… - Journal of …, 2021 - Taylor & Francis
Coronaviruses are contagious pathogens primarily responsible for respiratory and intestinal
infections. Research efforts to develop antiviral agents against coronavirus demonstrated …

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

S Das, S Sarmah, S Lyndem… - Journal of Biomolecular …, 2021 - Taylor & Francis
A new strain of a novel infectious disease affecting millions of people, caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently been declared as a …

Structure-based identification of potential SARS-CoV-2 main protease inhibitors

S Khan, Z Fakhar, A Hussain, A Ahmad… - Journal of …, 2022 - Taylor & Francis
To address coronavirus disease (COVID-19), currently, no effective drug or vaccine is
available. In this regard, molecular modeling approaches are highly useful to discover …

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 …

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach

L Mittal, A Kumari, M Srivastava, M Singh… - Journal of …, 2021 - Taylor & Francis
The pandemic caused by novel coronavirus disease 2019 (COVID-19) infecting millions of
populations worldwide and counting, has demanded quick and potential therapeutic …

[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 …