Structure-based design of promising natural products to inhibit thymidylate kinase from Monkeypox virus and validation using free energy calculations

Monkeypox (MPXV) is a globally growing public health concern with 80,328 active cases and 53 deaths have been reported. No specific vaccine or drug is available for the treatment of MPXV. Hence, the current study also employed structure-based drug designing, molecular simulation, and free energy cal...

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Detalles Bibliográficos
Autores principales: Khan, Abbas, Adil, Shoaib, Qudsia, Hafiza Ayesha, Waheed, Yasir, Alshabrmi, Fahad M., Wei, Dong-Qing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10029349/
https://www.ncbi.nlm.nih.gov/pubmed/36966556
http://dx.doi.org/10.1016/j.compbiomed.2023.106797

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10029349/
https://www.ncbi.nlm.nih.gov/pubmed/36966556
http://dx.doi.org/10.1016/j.compbiomed.2023.106797

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