Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation
Background: Currently, there is no antiviral medication for dengue, a potentially fatal tropical infectious illness spread by two mosquito species, Aedes aegypti and Aedes albopictus. The RdRp protease of dengue virus is a potential therapeutic target. This study focused on the in silico drug discov...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science
2024
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| Subjects: | |
| Online Access: | http://umpir.ump.edu.my/id/eprint/40860/1/Phenolic%20compounds%20of%20Theobroma%20cacao%20L.%20show%20potential%20against%20dengue.pdf http://umpir.ump.edu.my/id/eprint/40860/ https://doi.org/10.1371/journal.pone.0299238 |
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