In Vitro Bioactivities and In Silico ADME Profile for Potential Biological Target Prediction of Selected Phytochemicals Using Six Nepeta Species

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dc.authoridBasar, Yunus/0000-0002-7785-3242
dc.authoriddemirtas, ibrahim/0000-0001-8946-647X
dc.contributor.authorYenigun, Semiha
dc.contributor.authorBasar, Yunus
dc.contributor.authorGul, Fatih
dc.contributor.authorIpek, Yasar
dc.contributor.authorGok, Mesut
dc.contributor.authorBehcet, Lutfi
dc.contributor.authorOzen, Tevfik
dc.date.accessioned2024-12-24T19:24:22Z
dc.date.available2024-12-24T19:24:22Z
dc.date.issued2024
dc.departmentSiirt Üniversitesi
dc.description.abstractSeveral Nepeta species, used in traditional uses, represent sources of valuable phytochemical composition, as well as in vitro biological and in silico clinical activities. In the present study, the antioxidant and DNA protective properties of methanol: chloroform (1 : 1) extracts of six Nepeta species were evaluated by comparison with standards. In HPLC-MS/MS analysis, the main components of the extracts were identified as rosmarinic acid, caffeic acid, chlorogenic acid, shikimic acid, and scutellarin. In the GC-FID analysis, the highest components were palmitate and cis-11-eicosenoic acid. N. aristata has the greatest total phenol and flavonoid contents. N. baytopii, N. aristata, N. italica, N. stenantha, and N. nuda exhibited the highest antioxidant activities. The N. nuda, N. aristata, N. italica, and N. trachonitica extracts were shown to have the most potent DNA protection activity. According to the result of the GC-FID and HPLC-MS/MS analysis of Nepeta extracts, ADMET studies of the main components of the extracts were performed. It was evaluated that palmitic acid had BBB permeability, but oleic acid was toxic. The in vitro and in silico results confirmed that Nepeta L. extracts are potential natural products.
dc.description.sponsorshipTUBITAK; [119Z442]
dc.description.sponsorshipTUBITAK supported this study under grant number 119Z442. We thank Dr. Mehmet Nuri ATALAR for HPLC-MS/MS studies, and Onur Furkan BAYRAM, Banu BOZOGLU, and Hatice ARVAS within the scope of 2247-C Tubitak-Star Fellowship (STAR), due to their contribution.
dc.identifier.doi10.1002/slct.202400919
dc.identifier.issn2365-6549
dc.identifier.issue18
dc.identifier.scopus2-s2.0-85192147678
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1002/slct.202400919
dc.identifier.urihttps://hdl.handle.net/20.500.12604/5940
dc.identifier.volume9
dc.identifier.wosWOS:001219480200001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemistryselect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectNepeta L. species
dc.subjectHPLC-MS/MS
dc.subjectGC-FID
dc.subjectin vitro bioactivity
dc.subjectin silico studies
dc.titleIn Vitro Bioactivities and In Silico ADME Profile for Potential Biological Target Prediction of Selected Phytochemicals Using Six Nepeta Species
dc.typeArticle

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