Design, Synthesis, and Molecular Docking Analysis of Fluorinated MLN4924 Derivatives as Antiviral Agents

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dc.contributor.authorSung, Kisu
dc.contributor.authorHyeon, Seokhwan
dc.contributor.authorKim, Minjae
dc.contributor.authorSahu, Pramod K.
dc.contributor.authorNaik, Siddhi D.
dc.contributor.authorAswar, Vikas R.
dc.contributor.authorTripathi, Sushil K.
dc.contributor.authorChang, Tong-Shin
dc.contributor.authorAhn, Jin-Hyun
dc.contributor.authorYu, Jinha
dc.contributor.authorJeong, Lak Shin
dc.date.accessioned2024-12-05T05:16:38Z
dc.date.available2024-12-05T05:16:38Z
dc.date.issued2023
dc.description.abstractMLN4924 is known for its potential in cancer treatment and antiviral activity as a NEDD8-activating enzyme (NAE) inhibitor. We designed and synthesized fluorinated MLN4924 derivatives by electrophilic fluorination at the 6′-position and nucleophilic fluorination at the 2′-position of the sugar moiety, respectively. The compounds were then evaluated for their anti-HCMV activity, and compound 2 a exhibited the most potent HCMV inhibitory activity, showing similar results to MLN4924 but with no toxicity at a high concentration. Docking studies highlighted the importance of the sugar conformation in the binding interaction with the target protein. This research offers critical insights into the optimization of MLN4924 derivatives and provides a promising pathway towards the development of effective antiviral agents.
dc.identifier.citationAsian Journal of Organic Chemistry. 12(11); 2023; e202300416 pp.
dc.identifier.issn2193-5807
dc.identifier.urihttps://doi.org/10.1002/ajoc.202300416
dc.identifier.urihttp://khandolacollege.ndl.gov.in/handle/123456789/99
dc.language.isoen
dc.publisherJohn Wiley & Sons
dc.subjectNATURAL SCIENCES::Chemistry
dc.titleDesign, Synthesis, and Molecular Docking Analysis of Fluorinated MLN4924 Derivatives as Antiviral Agents
dc.typeArticle
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