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Computational Insights into Natural Antischistosomal Metabolites as SmHDAC8 Inhibitors: Molecular Docking, ADMET Profiling, and Molecular Dynamics Simulation

Schistosomiasis is a neglected tropical disease with a significant socioeconomic impact. It is caused by several species of blood trematodes from the genus Schistosoma, with S. mansoni being the most prevalent. Praziquantel (PZQ) is the only drug available for treatment, but it is vulnerable to drug...

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Detalles Bibliográficos
Autores principales: Alzain, Abdulrahim A., Mukhtar, Rua M., Abdelmoniem, Nihal, Elbadwi, Fatima A., Hussien, Amira, Garelnabi, Elrashied A. E., Osman, Wadah, Sherif, Asmaa E., Khedr, Amgad I. M., Ghazawi, Kholoud F., Samman, Waad A., Ibrahim, Sabrin R. M., Mohamed, Gamal A., Ashour, Ahmed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10221329/
https://www.ncbi.nlm.nih.gov/pubmed/37233699
http://dx.doi.org/10.3390/metabo13050658