In silico evaluation of the effectivity of approved protease inhibitors against the main protease of the novel SARS-CoV-2 virus

P Eleftheriou, D Amanatidou, A Petrou, A Geronikaki - Molecules, 2020 - mdpi.com
The coronavirus disease, COVID-19, caused by the novel coronavirus SARS-CoV-2, which
first emerged in Wuhan, China and was made known to the World in December 2019 turned …

In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19

E Mamidala, R Davella, S Gurrapu… - arXiv preprint arXiv …, 2020 - arxiv.org
The COVID-19 pandemic triggered by SARS-CoV-2 is a worldwide health disaster. Main
protease is an attractive drug target among coronaviruses, due to its vital role in processing …

Molecular modelling investigation for drugs and nutraceuticals against protease of SARS-CoV-2

K Kodchakorn, Y Poovorawan, K Suwannakarn… - Journal of Molecular …, 2020 - Elsevier
The widespread problem of a 2019-novel coronavirus (SARS-CoV-2) strain outbreak in
Wuhan, China has prompted a search for new drugs to protect against and treat this …

Identification of possible SARS-CoV-2 main protease inhibitors: in silico molecular docking and dynamic simulation studies

A Mukherjee, KM Pandey, KK Ojha… - Beni-Suef University …, 2023 - Springer
Background COVID-19 was declared a pandemic by the World Health Organisation in 2020
after its outbreak in December 2019 in Wuhan, China. Since researchers have been working …

Inhibition of SARS-CoV-2 main protease 3CLpro by means of α-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking

AO Elzupir - Journal of Molecular Structure, 2020 - Elsevier
The coronavirus disease infections (COVID-19) caused by a new type of coronavirus (SARS-
CoV-2) have been emerging in the entire world. Therefore, it is necessary to find out …

In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme

S Chatterjee, A Maity, S Chowdhury… - Journal of …, 2021 - Taylor & Francis
The recent outbreak of the 2019 novel coronavirus disease (COVID-19) has been proved as
a global threat. No particular drug or vaccine has not yet been discovered which may act …

[HTML][HTML] In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease

O Yañez, MI Osorio, E Uriarte, C Areche… - Frontiers in …, 2021 - frontiersin.org
The pandemic that started in Wuhan (China) in 2019 has caused a large number of deaths,
and infected people around the world due to the absence of effective therapy against …

In silico prediction of novel inhibitors of SARS-CoV-2 main protease through structure-based virtual screening and molecular dynamic simulation

SA Halim, M Waqas, A Khan, A Al-Harrasi - Pharmaceuticals, 2021 - mdpi.com
The unprecedented pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) is threatening global health. SARS-CoV-2 has caused severe disease with …

In silico evaluation of prospective anti-COVID-19 drug candidates as potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman, KS Allemailem… - The Protein …, 2021 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a recently emanating
human infectious coronavirus that causes COVID-19 disease. On 11th March 2020, it has …

[HTML][HTML] In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease

I Khater, A Nassar - Biochemistry and Biophysics Reports, 2021 - Elsevier
Developing a safe and effective antiviral treatment takes a decade, however, when it comes
to the coronavirus disease (COVID-19), time is a sensitive matter to slow the spread of the …