Selective in-vitro Enzymes' Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulations

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dc.contributor.authorKocakaya, Safak Ozhan
dc.contributor.authorErtas, Abdulselam
dc.contributor.authorYener, Ismail
dc.contributor.authorErcan, Bahadir
dc.contributor.authorOral, Elif Varhan
dc.contributor.authorAkdeniz, Mehmet
dc.contributor.authorKaplaner, Erhan
dc.date.accessioned2024-04-24T17:18:37Z
dc.date.available2024-04-24T17:18:37Z
dc.date.issued2020
dc.departmentDicle Üniversitesien_US
dc.description.abstractRecently Nutrition and Food Chemistry researches have been focused on plants and their products or their secondary metabolites having anti-alzheimer, anti-cancer, anti-aging, and antioxidant properties. Among these plants Salvia L. (Lamiaceae) species come into prominence with their booster effects due to high antioxidant contents, which have over 900 species in the world and 98 in Turkey. Some Salvia species are already in use as herbal treatment of vessel stiffness, Dementia like problems and cancer. Recently some species of Salvia are of extensive research topic. In this study, inhibitory potentials of secondary metabolites, rosmarinic acid, salvigenin, salvianolic acid A and B, tanshinone I and IIA, cyrtotanshinone, dihydrotanshinone I, carnosic acid, carnosol, and danshensu sodium salt were investigated against acetylcholinesterase, butyrylcholinesterase, urease and tyrosinase enzymes both in-vitro and in slico in detail. Elevated inhibitory effects on acetyl-and butyryl-cholinesterase of dihydrotanshinone I (IC50: 1.50 +/- 0.02 and 0.50 +/- 0.01 mu g/mL, respectively), carnasol (IC50: 11.15 +/- 0.05 ve 3.92 +/- 0.03 mu g/mL) and carnosic acid (IC50: 31.83 +/- 0.65 ve 4.12 +/- 0.04 mu g/mL) were observed. Furthermore, all other secondary metabolites were active against butyrylcholinesterase. Anti-urease (42.41 +/- 0.85%) and anti-tyrosinase (39.82 +/- 1.16%) activities of tanshinone I were also observed. Potential inhibitory effects of these molecules on target proteins were investigated using DOCK and molecular dynamics calculations. Dock score analysis and Lipinski parameters were demonstrated that these ligands are potential inhibitors against relevant enzymes. Our findings suggest that Salvia species can be utilized as a ptential source of anti-alzheimer active compounds for designing novel products.en_US
dc.description.sponsorshipTUBITAK, The Scientific and Technological Research Council of Turkey [KBAG 114Z801]en_US
dc.description.sponsorshipThe research was funded by grant: KBAG 114Z801 from TUBITAK, The Scientific and Technological Research Council of Turkey.en_US
dc.identifier.doi10.22037/ijpr.2020.112498.13801
dc.identifier.endpage198en_US
dc.identifier.issn1735-0328
dc.identifier.issn1726-6890
dc.identifier.issue2en_US
dc.identifier.pmid33224224
dc.identifier.scopus2-s2.0-85088115304
dc.identifier.scopusqualityQ2
dc.identifier.startpage187en_US
dc.identifier.urihttps://doi.org/10.22037/ijpr.2020.112498.13801
dc.identifier.urihttps://hdl.handle.net/11468/18849
dc.identifier.volume19en_US
dc.identifier.wosWOS:000574836200019
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoenen_US
dc.publisherShaheed Beheshti Univ, Sch Pharmacyen_US
dc.relation.ispartofIranian Journal of Pharmaceutical Research
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSalviaen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectMolecular Dockingen_US
dc.subjectIn Silicoen_US
dc.subjectCarnosolen_US
dc.subjectSalvianolic Aciden_US
dc.titleSelective in-vitro Enzymes' Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulationsen_US
dc.titleSelective in-vitro Enzymes' Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulations
dc.typeArticleen_US

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