In silico and in vitro identification of pan-coronaviral main protease inhibitors from a large natural product library
N Shahhamzehei, S Abdelfatah, T Efferth - Pharmaceuticals, 2022 - mdpi.com
… The main protease (M pro or … proteases. In this study, we explored potential natural pan-coronavirus
drugs using in vitro and in silico approaches and three coronavirus main proteases …
drugs using in vitro and in silico approaches and three coronavirus main proteases …
In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular …
… -CoV-2 targets in the main protease (Mpro) which is … main protease was carried out to predict
the mode of binding between these molecules and their potential target (SARS-CoV-2 main …
the mode of binding between these molecules and their potential target (SARS-CoV-2 main …
[HTML][HTML] In silico structure-based discovery of a SARS-CoV-2 main protease inhibitor
L Wen, K Tang, KKH Chik, CCY Chan… - … Journal of Biological …, 2021 - ncbi.nlm.nih.gov
… The main protease (M pro) of SARS-CoV-2 is an attractive antiviral target because of its
essential role in the cleavage of the viral polypeptide. In this study, we performed an in silico …
essential role in the cleavage of the viral polypeptide. In this study, we performed an in silico …
In silico detection of inhibitor potential of Passiflora compounds against SARS-Cov-2 (Covid-19) main protease by using molecular docking and dynamic analyses
… was noted that the sequence of the main protease is closely related to other … main protease
is a suitable target for identifying potential drug substances. We also used the main protease …
is a suitable target for identifying potential drug substances. We also used the main protease …
An in-silico evaluation of COVID-19 main protease with clinically approved drugs
W Tachoua, M Kabrine, M Mushtaq, Z Ul-Haq - Journal of molecular …, 2020 - Elsevier
… docking studies on the main virus protease M pro with eight … detected after SwissDock
analysis because the complex of M pro with its inhibitor N3 was obtained in theoretical (in silico…
analysis because the complex of M pro with its inhibitor N3 was obtained in theoretical (in silico…
In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19
… In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome
coronavirus envelope protein ion channel. Journal of Biomolecular Structure and Dynamics. …
coronavirus envelope protein ion channel. Journal of Biomolecular Structure and Dynamics. …
In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2
… against COVID-19 main protease enzyme and to understand the in silico molecular basis of
its … of Cinnamon are very likely against the main protease enzyme of COVID-19. Further MD …
its … of Cinnamon are very likely against the main protease enzyme of COVID-19. Further MD …
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease
… In summary, we have used in silico methods, including docking and MD simulation, to …
throughput of the Mpro protease assay,we expect that these in silico results and predictions could …
throughput of the Mpro protease assay,we expect that these in silico results and predictions could …
In silico drug repurposing for SARS-CoV-2 main proteinase and spike proteins
I Maffucci, A Contini - Journal of Proteome Research, 2020 - ACS Publications
… for coronaviruses treatments is the main proteinase M pro , also … Moreover, human proteases
with the same specificity have … On the other side, inhibiting the viral proteases, as done with …
with the same specificity have … On the other side, inhibiting the viral proteases, as done with …
In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19
… Currently, three main detection strategies are available for diagnosis of … -2 main protease
inhibitors, but we have also checked here the potential of these compounds as main protease …
inhibitors, but we have also checked here the potential of these compounds as main protease …
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