Targeting SARS-CoV-2 main protease for treatment of COVID-19: covalent inhibitors structure–activity relationship insights and evolution perspectives

G La Monica, A Bono, A Lauria… - Journal of medicinal …, 2022 - ACS Publications
The viral main protease is one of the most attractive targets among all key enzymes involved
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

SA Amin, S Banerjee, K Ghosh, S Gayen… - Bioorganic & medicinal …, 2021 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) brutally perils physical and
mental health worldwide. Unavailability of effective anti-viral drug rendering global threat of …

Small molecules in the treatment of COVID-19

S Lei, X Chen, J Wu, X Duan, K Men - Signal transduction and targeted …, 2022 - nature.com
The outbreak of COVID-19 has become a global crisis, and brought severe disruptions to
societies and economies. Until now, effective therapeutics against COVID-19 are in high …

Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation

S Keretsu, SP Bhujbal, SJ Cho - Scientific reports, 2020 - nature.com
In the rapidly evolving coronavirus disease (COVID-19) pandemic, repurposing existing
drugs and evaluating commercially available inhibitors against druggable targets of the virus …

COVID-19, cytokines, inflammation, and spices: How are they related?

AB Kunnumakkara, V Rana, D Parama, K Banik… - Life sciences, 2021 - Elsevier
Background Cytokine storm is the exaggerated immune response often observed in viral
infections. It is also intimately linked with the progression of COVID-19 disease as well as …

Role of proteolytic enzymes in the COVID-19 infection and promising therapeutic approaches

M Gioia, C Ciaccio, P Calligari, G De Simone… - Biochemical …, 2020 - Elsevier
In the Fall of 2019 a sudden and dramatic outbreak of a pulmonary disease (Coronavirus
Disease COVID-19), due to a new Coronavirus strain (ie, SARS-CoV-2), emerged in the …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro …

E Pitsillou, J Liang, K Ververis, KW Lim, A Hung… - Frontiers in …, 2020 - frontiersin.org
COVID-19 is an ongoing pandemic caused by the SARS-CoV-2 virus with important political,
socio-economic, and public health consequences. Inhibiting replication represents an …

Precision therapeutic targets for COVID-19

ZA Krumm, GM Lloyd, CP Francis, LH Nasif… - Virology journal, 2021 - Springer
Beginning in late 2019, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
emerged as a novel pathogen that causes coronavirus disease 2019 (COVID-19). SARS …

Interaction between protease from Staphylococcus epidermidis and pork myofibrillar protein: Flavor and molecular simulation

H Wang, J Xu, Q Liu, Q Chen, F Sun, B Kong - Food chemistry, 2022 - Elsevier
This study investigated the influence of a protease from Staphylococcus (S.) epidermidis on
the hydrolysis and flavor development in pork myofibrillar protein (MP). The surface …