Antiviral activities of phenylalanine derivatives carrying carboxylic acid bioisosteres against chikungunya and parainfluenza virus type 3

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dc.contributor.authorEren, Merve Camcı
dc.contributor.authorGüngör, Görkem
dc.contributor.authorDe Jonghe, Steven
dc.contributor.authorÖzbil, Mehmet
dc.contributor.authorNeyts, Johan
dc.contributor.authorKaptein, Suzanne
dc.contributor.authorŞenol, Halil
dc.contributor.authorKöse, Aytekin
dc.contributor.authorGezginci, Mikail Hakan
dc.contributor.authorKaralı, Nilgün
dc.date.accessioned2025-09-17T05:44:56Z
dc.date.available2025-09-17T05:44:56Z
dc.date.issued2025
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractPathogenic RNA viruses from various virus families represent substantial public health hazards. Specific antiviral drugs effective against most RNA virus infections have not yet been developed. In this study, it was aimed to investigate the broad-spectrum antiviral activities of phenylalanine derivatives designed by replacing the carboxylic acid moiety with various bioisosteres such as nitrile, hydroxamidine and 5-oxo/thioxo-1,2,4-oxadiazole. Novel synthesized N-(1-substituted 2-phenylethyl)-N-(3-chlorobenzyl)-2,4-dichlorobenzamides (6e, 7e, 8e and 9d), together with phenylalanine derivatives previously prepared by our group, were evaluated antiviral activities against chikungunya (CHIKV), Zika (ZIKV), parainfluenza virus type 3 (PIV3), and enterovirus 71 (EV71). All phenylalanine derivatives showed antiviral activities against PIV3, with the 3-fluorobenzyl substituted analogue 6d emerging as the most potent compound (IC50 = 3.74 μM, CC50 > 100 μM), whereas the 3-chlorobenzyl analogue 6e (IC50 = 5.72 μM, CC50 > 100 μM) possessed the best non-toxic antiviral activity against CHIKV. Combined molecular docking and molecular dynamics (MD) simulation studies were conducted to predict the interactions of compounds 6d and 6e with the possible viral proteins of PIV3 and CHIKV, respectively.
dc.identifier.doi10.1016/j.bmc.2025.118343
dc.identifier.scopus2-s2.0-105012953124
dc.identifier.scopusqualityQ2
dc.identifier.uri10.1016/j.bmc.2025.118343
dc.identifier.urihttps://hdl.handle.net/20.500.12451/14427
dc.identifier.volume130
dc.indekslendigikaynakScopus
dc.institutionauthorKöse, Aytekin
dc.language.isoen
dc.publisherElsevier Ltd
dc.relation.ispartofBioorganic and Medicinal Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectPhenylalanine
dc.subjectBioisostere
dc.subjectParainfluenza Virus Type 3
dc.subjectMolecular Modelling
dc.titleAntiviral activities of phenylalanine derivatives carrying carboxylic acid bioisosteres against chikungunya and parainfluenza virus type 3
dc.typeArticle

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