Anticoagulants as Potential SARS-CoV-2 M(pro) Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

In this article, 34 anticoagulant drugs were screened in silico against the main protease (M(pro)) of SARS-CoV-2 using molecular docking tools. Idraparinux, fondaparinux, eptifibatide, heparin, and ticagrelor demonstrated the highest binding affinities towards SARS-CoV-2 M(pro). A molecular dynamics...

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Detalles Bibliográficos
Autores principales: Abo Elmaaty, Ayman, Eldehna, Wagdy M., Khattab, Muhammad, Kutkat, Omnia, Alnajjar, Radwan, El-Taweel, Ahmed N., Al-Rashood, Sara T., Abourehab, Mohammed A. S., Binjubair, Faizah A., Saleh, Mohamed A., Belal, Amany, Al-Karmalawy, Ahmed A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9603561/
https://www.ncbi.nlm.nih.gov/pubmed/36293094
http://dx.doi.org/10.3390/ijms232012235

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9603561/
https://www.ncbi.nlm.nih.gov/pubmed/36293094
http://dx.doi.org/10.3390/ijms232012235

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