Synthesis, biological evaluation and molecular docking studies of flavonol-3-o-β-d-glycoside as a potential inhibitor of sars-cov-2 main protease (3clpro) in drug development for covid-19

Basit Öğe Kaydı
dc.contributor.authorÇelik, Gonca
dc.contributor.authorAlpay Karaoğlu, Şengül
dc.contributor.authorSuyabatmaz, Şeyma
dc.contributor.authorBozdeveci, Arif
dc.contributor.authorTatar Yılmaz, Gizem
dc.contributor.authorYaylı, Nurettin
dc.contributor.authorÇopur Çiçek, Ayşegül
dc.date.accessioned2026-04-09T12:39:55Z
dc.date.available2026-04-09T12:39:55Z
dc.date.issued2025
dc.departmentİstanbul Medipol Üniversitesi, Tıp Fakültesi, Temel Tıp Bilimleri Bölümü, Tıbbi Mikrobiyoloji Ana Bilim Dalı
dc.description.abstractThe COVID-19 pandemic began in March 2020 and has affected many countries and infected over a million people. It has had a serious impact on people's physical and mental health, daily life and the global economy. Today, many drugs show limited efficacy in the treatment of COVID-19 and studies to develop effective drugs continue. Here, we aim to the synthesise and characterise of the flavonol-3-O-glycoside derivatives, the following and evaluated molecular docking studies with antimicrobial activity, inhibition of SARS-CoV-2 main protease enzyme (3CLpro) and nuclease activity. Molecular docking simulations of the synthesized flavonol-3-O-glycoside derivatives, especially compounds 5a, 5d, 5h, 5i and 5m, showed a stronger interaction with SARS-CoV-2 3CLpro in the active site. Two compounds from the target compounds, 5h and 5m, were found to be specifically effective against M. smegmatis and yeasts. In particular, compounds 5a, 5d, 5h, 5i and 5m, which exhibited high activity against the SARS-CoV-2 main protease enzyme, were found to be effective at low concentrations. We determined the IC50 values for the compounds that showed an inhibitory effect as well as their nuclease activities, which further emphasising the potential of our results. Among these, compound 5d showed a significant competitive inhibitor of 3CLpro. Furthermore, nuclease activity studies identified compound 5d as the most potent. The above results suggest that the flavonol-3-O-glycoside derivatives could be promising new antiviral agents for the development of 3CLpro inhibitors to combat COVID-19.
dc.description.sponsorshipTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) ; Karadeniz Technical University Scientific Research Projects (BAP) - Research Infrastructure Project
dc.identifier.citationÇelik, G., Alpay Karaoğlu, Ş., Suyabatmaz, Ş., Bozdeveci, A., Tatar Yılmaz, G., Yaylı, N. ... Çopur Çiçek, A. (2025). Synthesis, biological evaluation and molecular docking studies of flavonol-3-o-β-d-glycoside as a potential inhibitor of sars-cov-2 main protease (3clpro) in drug development for covid-19. International Journal of Biological Macromolecules, 298. http://dx.doi.org/10.1016/j.ijbiomac.2025.139621
dc.identifier.doi10.1016/j.ijbiomac.2025.139621
dc.identifier.issn0141-8130
dc.identifier.issn1879-0003
dc.identifier.pmid39818399
dc.identifier.scopus2-s2.0-85215233495
dc.identifier.scopusqualityQ1
dc.identifier.urihttp://dx.doi.org/10.1016/j.ijbiomac.2025.139621
dc.identifier.urihttps://hdl.handle.net/20.500.12511/13408
dc.identifier.volume298
dc.identifier.wosWOS:001405763700001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorÇopur Çiçek, Ayşegül
dc.institutionauthorid0000-0002-3673-9670
dc.language.isoen
dc.relation.ecinfo:eu-repo/grantAgreement/TUBITAK/BAP/04
dc.relation.ispartofInternational Journal of Biological Macromolecules
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/121C188
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/TAY/2022/10040
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectAntimicrobial Activity
dc.subjectCOVID-19
dc.subjectFlavonol-3-O-Glycoside
dc.subjectMolecular Docking
dc.subjectNuclease Activity
dc.subjectSARS-Cov-2
dc.titleSynthesis, biological evaluation and molecular docking studies of flavonol-3-o-β-d-glycoside as a potential inhibitor of sars-cov-2 main protease (3clpro) in drug development for covid-19
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim
İsim:
Çopur Çiçek-Ayşegül-2025.pdf
Boyut:
3.14 MB
Biçim:
Adobe Portable Document Format
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.17 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Makale Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu