Unveiling Palmitoyl Thymidine Derivatives as Antimicrobial/Antiviral Inhibitors: Synthesis, Molecular Docking, Dynamic Simulations, ADMET, and Assessment of Protein–Ligand Interactions

Unveiling Palmitoyl Thymidine Derivatives as Antimicrobial/Antiviral Inhibitors: Synthesis, Molecular Docking, Dynamic Simulations, ADMET, and Assessment of Protein–Ligand Interactions

<b>Background/Objectives:</b> Nucleoside precursors and derivatives play pivotal roles in the development of antimicrobial and antiviral therapeutics. The 2022 global outbreak of monkeypox (Mpox) across more than 100 nonendemic countries underscores the urgent need for novel antiviral ag...

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Main Authors: Sarkar M. A. Kawsar, Samiah Hamad Al-mijalli, Gassoumi Bouzid, Emad M. Abdallah, Noimul H. Siddiquee, Mohammed A. Hosen, Mabrouk Horchani, Houcine Ghalla, Hichem B. Jannet, Yuki Fujii, Yasuhiro Ozeki
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Pharmaceuticals
Subjects:
thymidine
microorganism
DFT
molecular dynamics simulation
monkeypox
Marburg virus
Online Access:https://www.mdpi.com/1424-8247/18/6/806
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https://www.mdpi.com/1424-8247/18/6/806

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