Targeting CoV-2 spike RBD and ACE-2 interaction with flavonoids of Anatolian propolis by in silico and in vitro studies in terms of possible COVID-19 therapeutics

Basit Öğe Kaydı
dc.authoridYILDIZ, OKTAY/0000-0003-0436-682X
dc.authoridAy sal, Fulya/0000-0002-0216-336X
dc.authoridBELDUZ, Ali Osman/0000-0003-2240-7568
dc.authoridGuler, Halil Ibrahim/0000-0002-7261-6790
dc.authoridKARA, Yakup/0000-0003-3121-5023
dc.contributor.authorGuler, Halil Ibrahim
dc.contributor.authorSal, Fulya A. Y.
dc.contributor.authorCan, Zehra
dc.contributor.authorKara, Yakup
dc.contributor.authorYildiz, Oktay
dc.contributor.authorBelduz, Ali Osman
dc.contributor.authorCanakci, Sabriye
dc.date.accessioned2024-10-04T18:53:49Z
dc.date.available2024-10-04T18:53:49Z
dc.date.issued2021
dc.departmentBayburt Üniversitesien_US
dc.description.abstractPropolis is a multi-functional bee product rich in polyphenols. In this study, the inhibitory effect of Anatolian propolis against SARS-coronavirus-2 (SARS-CoV-2) was investigated in vitro and in silico. Raw and commercial propolis samples were used, and both samples were found to be rich in caffeic acid, p-coumaric acid, ferulic acid, t-cinnamic acid, hesperetin, chrysin, pinocembrin, and caffeic acid phenethyl ester (CAPE) at HPLC-UV analysis. Ethanolic propolis extracts (EPE) were used in the ELISA screening test against the spike S1 protein (SARS-CoV-2): ACE-2 interaction for in vitro study. The binding energy values of these polyphenols to the SARS-CoV-2 spike and ACE-2 protein were calculated separately with a molecular docking study using the AutoDock 4.2.6 program. In addition, the pharmacokinetics and drug-likeness properties of these eight polyphenols were calculated according to the SwissADME tool. The binding energy value of pinocembrin was highest in both receptors, followed by chrysin, CAPE, and hesperetin. Based on the in silico modeling and ADME (absorption, distribution, metabolism, and excretion) behaviors of the eight polyphenols, the compounds exhibited the potential ability to act effectively as novel drugs. The findings of both studies showed that propolis has a high inhibitory potential against the Covid-19 virus. However, further studies are now needed.en_US
dc.description.sponsorshipKTU BAP [FBA-2020-9192]en_US
dc.description.sponsorshipThis work was funded by the KTU BAP FBA-2020-9192 project. We thank (Bee&You (Bee'O) (SBS Scientific Bio Solutions Inc., Istanbul, Turkey) company for allowing the use of commercial propolis sample.en_US
dc.identifier.doi10.3906/biy-2104-5
dc.identifier.endpage548en_US
dc.identifier.issn1300-0152
dc.identifier.issn1303-6092
dc.identifier.issue4en_US
dc.identifier.pmid34803452en_US
dc.identifier.scopus2-s2.0-85114247491en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage530en_US
dc.identifier.trdizinid521583en_US
dc.identifier.urihttps://doi.org/10.3906/biy-2104-5
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/521583
dc.identifier.urihttp://hdl.handle.net/20.500.12403/3727
dc.identifier.volume45en_US
dc.identifier.wosWOS:000691376800014en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakTR-Dizinen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherTubitak Scientific & Technological Research Council Turkeyen_US
dc.relation.ispartofTurkish Journal of Biologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectPropolisen_US
dc.subjectCovid-19en_US
dc.subjectSARS-CoV-2en_US
dc.subjectpinocembrinen_US
dc.subjectmolecular dockingen_US
dc.titleTargeting CoV-2 spike RBD and ACE-2 interaction with flavonoids of Anatolian propolis by in silico and in vitro studies in terms of possible COVID-19 therapeuticsen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayın Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
TR-Dizin İndeksli Yayınlar Koleksiyonu