Pharmacokinetics, drug-likeness, antibacterial and antioxidant activity of secondary metabolites from the roots extracts of Crinum abyssinicum and Calotropis procera and in silico molecular docking study

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dc.contributor.authorTegegn, Getachew
dc.contributor.authorMelaku, Yadessa
dc.contributor.authorEswaramoorthy, Rajalakshmanan
dc.contributor.authorAnnisa, Milkyas Endale
dc.date.accessioned2025-01-06T17:22:51Z
dc.date.available2025-01-06T17:22:51Z
dc.date.issued2022
dc.departmentAdana Alparslan Türkeş Bilim ve Teknoloji Üniversitesi
dc.description.abstractCrinum abyssinicum and Calotropis procera were traditionally used for the treatment of different diseases such as hypertension, diabetes, hepatitis B, skin infection, anticancer, asthma, fever, and diarrhea. The structures of the compounds were characterized by 1H NMR, 13C NMR, and DEPT-135 spectra. Compounds 1-3 were reported herein for the first time from the species of C. abyssinicum. The DCM/MeOH (1:1) and MeOH roots extracts of C. abyssinicum showed significant inhibitory activity against S. aureus and P. aeruginosa with a mean inhibition zone of 16.67 ± 1.20 and 16.33 ± 0.33 mm, respectively. Compounds 4 and 5 showed promising activity against E. coli with a mean inhibition zone of 17.7 ? 0.8 and 17.7 ? 1.2 mm, respectively. The results of DPPH activity showed the DCM: MeOH (1:1) and MeOH roots extracts of C. abyssinicum inhibited the DPPH radical by 52.86 ? 0.24 % and 45.6 ? 0.11 %, respectively, whereas compound 5 displayed 85.7 % of inhibition. The drug-likeness analysis showed that compounds 2-4 satisfy Lipinski’s rule of five with zero violations. Compounds 2, and 6 showed binding affinities of ?6.0, and ?6.7 kcal/mol against E. coli DNA gyrase B, respectively, while 3 and 5 showed ?5.0 and ?5.0 kcal/mol, respectively against human peroxiredoxin 5. Therefore, the in vitro antibacterial, radical scavenging activity along with the molecular docking analysis suggest the potential use of the extracts of C. abyssinicum and compounds 2, 5, 6, and 3, 5 can be considered as promising antibacterial agents and free radical scavengers, respectively.
dc.identifier.doi10.21448/ijsm.1107685
dc.identifier.endpage492
dc.identifier.issn2148-6905
dc.identifier.issue4
dc.identifier.startpage467
dc.identifier.trdizinid1144546
dc.identifier.urihttps://doi.org/10.21448/ijsm.1107685
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1144546
dc.identifier.urihttps://hdl.handle.net/20.500.14669/502
dc.identifier.volume9
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofInternational Journal of Secondary Metabolite
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241211
dc.subjectBiyoloji
dc.subjectFizik
dc.subjectUygulamalı
dc.subjectKimya
dc.subjectAnalitik
dc.subjectSpektroskopi
dc.subjectFarmakoloji ve Eczacılık
dc.titlePharmacokinetics, drug-likeness, antibacterial and antioxidant activity of secondary metabolites from the roots extracts of Crinum abyssinicum and Calotropis procera and in silico molecular docking study
dc.typeArticle

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