Identification of potent food constituents as SARS-CoV-2 papain-like protease modulators through advanced pharmacoinformatics approaches

S Bhowmick, A Saha, NA AlFaris, JZ ALTamimi… - Journal of Molecular …, 2022 - Elsevier
The current ongoing pandemic of COVID-19 urges immediate treatment measures for
controlling the highly contagious SARS-CoV-2 infections. The papain-like protease (PLpro) …

Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked …

E Pitsillou, J Liang, C Karagiannis, K Ververis… - … biology and chemistry, 2020 - Elsevier
Caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the COVID-
19 pandemic is ongoing, with no proven safe and effective vaccine to date. Further, effective …

A novel robust inhibitor of papain-like protease (PLpro) as a COVID-19 drug

S Soleimani Asl, MH Roozbahani - Journal of Biomolecular …, 2023 - Taylor & Francis
Regarding the significance of SARS-CoV-2, scientists have shown considerable interest in
developing effective drugs. Inhibitors for PLpro are the primary strategies for locating …

Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies

E Pitsillou, J Liang, A Hung, TC Karagiannis - Chemical physics letters, 2021 - Elsevier
Abstract The SARS-CoV-2 papain-like protease (PL pro) is a suitable target for drug
development, and its deubiquitinating and deISGylating activities have also been reported …

[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds

I Antonopoulou, E Sapountzaki, U Rova… - Computational and …, 2022 - Elsevier
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …

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 …

Curcumins and its derivatives as potential inhibitors of New Coronavirus (COVID-19) main protease: an in silico strategy

DR Alves, MN da Rocha, CCO Passos… - Research, Society and …, 2022 - rsdjournal.org
Abstract Coronavirus (COVID-19) disease outbreak caused a worldwide pandemic with a
powerful lethal potential and still, there is no specific treatment to it. Natural bioactive …

[HTML][HTML] Discovery of the cryptic sites of SARS-CoV-2 papain-like protease and analysis of its druggability

Y Qiu, Q Liu, G Tu, XJ Yao - International Journal of Molecular Sciences, 2022 - mdpi.com
In late 2019, a new coronavirus (CoV) caused the outbreak of a deadly respiratory disease,
resulting in the COVID-19 pandemic. In view of the ongoing pandemic, there is an …

[HTML][HTML] Evaluation of the anti-diabetic drug sitagliptin as a novel attenuate to SARS-CoV-2 evidence-based in silico: molecular docking and molecular dynamics

JE da Cruz Freire, JEM Júnior, DP Pinheiro… - 3 Biotech, 2022 - Springer
The current outbreak of COVID-19 cases worldwide has been responsible for a significant
number of deaths, especially in hospitalized patients suffering from comorbidities, such as …

[PDF][PDF] Computer Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Major Proteases: Target of COVID-19

C Lee, A Mar - Journal of Contemporary Medical Practice, 2022 - scholar.archive.org
Historically, plants have been sought after as bio-factories for the production of diverse
chemical compounds that offer a multitude of possibilities to cure diseases. To combat the …