In vitro antibacterial and antioxidant activity of flavonoids from the roots of Tephrosia vogelii : a combined experimental and computational study.

Autor: Abera B; Department of Applied Chemistry, 125545 School of Applied Natural Science, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia., Melaku Y; Department of Applied Chemistry, 125545 School of Applied Natural Science, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia., Shenkute K; Department of Applied Chemistry, 125545 School of Applied Natural Science, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia., Degu S; Traditional and Modern Medicine Research and Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia., Abebe A; Traditional and Modern Medicine Research and Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia., Gemechu W; Traditional and Modern Medicine Research and Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia., Endale M; Traditional and Modern Medicine Research and Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia., Woldemariam M; Pharmaceutical Industry Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia., Hunsen M; Department of Chemistry, 3475 Kenyon College , Gambier, OH 43022, USA., Hussein AA; Department of Chemistry, 70683 Cape Peninsula University of Technology , Bellville Campus, 7535, Bellville, Western Cape, South Africa., Dekebo A; Department of Applied Chemistry, 125545 School of Applied Natural Science, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia.; 125545 Institute of Pharmaceutical Sciences, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia.
Jazyk: angličtina
Zdroj: Zeitschrift fur Naturforschung. C, Journal of biosciences [Z Naturforsch C J Biosci] 2024 Jun 13. Date of Electronic Publication: 2024 Jun 13.
DOI: 10.1515/znc-2024-0044
Abstrakt: Tephrosia vogelii is a traditional medicinal plant used to treat hypertension, diarrhea and urinary disorders. Silica gel chromatographic separation of CH 2 Cl 2 /MeOH (1:1) roots extract of T. vogelii afforded seven compounds namely; β-sitosterol ( 1a ), stigmasterol ( 1b ), 6a, 12a-dehydro-deguelin ( 2 ), tephrosin ( 3 ), maackiain ( 4 ), obovatin ( 5 ) and 6-oxo, 6a, 12a-dehydro-deguelin ( 6 ). GC-MS analysis of essential oils from the root of T. vogelii displayed a total of 17 compounds of which cis-nerolidol (41.7 %) and cadinol (19.7 %) were the major constituents. CH 2 Cl 2 /MeOH (1:1) extract, MeOH extract, maackiain ( 4 ) and obovatin ( 5 ) showed moderate inhibitory activity against Pseudomonas aeruginosa with MIC value of 0.5, 0.66, 0.83 and 0.83 mg/mL, respectively, compared to ciprofloxacin (MIC of 0.078 μg/mL). 6a, 12a-dihydro-deguelin ( 2 ), and 6-oxo, 6a, 12a-dehydro-deguelin ( 6 ) displayed significant activity against S. epidermis with MIC values of 0.66 mg/mL. Tephrosin ( 3 ) and maackiain ( 4 ) also showed moderate antibacterial activity against Staphylococcus aureus and Proteus mirabilis with MIC values of 0.83 and 0.5 mg/mL, respectively, compared to ciprofloxacin (0.312 μg/mL). The radical scavenging activity results indicated that tephrosin ( 3 ), obovatin ( 5 ) and 6-oxo, 6a, 12a-dehydro-deguelin ( 6 ) showed potent DPPH scavenging activity with IC 50 values of 10.97, 10.43 and 10.73 μg/mL, respectively, compared to ascorbic acid (IC 50 of 5.83 μg/mL). The docking prediction results revealed that 6a, 12a-dehydro-deguelin ( 2 ) displayed the best binding energy of -8.1 kcal/mol towards pyruvate kinase of S. aureus (PDB ID: 3T07) and -7.9 kcal/mol towards P. mirabilis urease (PDB ID: 1E9Y) and DNA gyrase B of Escherichia coli (PDB: 4F86) receptors compared to ciprofloxacin (-7.2 to -8.0 kcal/mol). Maackiain ( 4 ) and obovatin ( 5 ) displayed the minimum binding energy of -7.9 and -8.2 kcal/mol towards the LasR protein of P. aeruginosa (PDB: ID 2UV) and S. epidermidis FtsZ (PDB: ID 4M8I), respectively. The SwissADME drug-likeness and Pro Tox II toxicity prediction results indicated that compounds ( 2 - 6 ) obeyed Lipinski's rule of five with 0 violations and none of them were found to be hepatotoxic, mutagenic, and cytotoxic, respectively. The in vitro assessment results supported by the in silico analysis revealed that crude extracts and isolated compounds showed promising antibacterial and antioxidant activity, which proves the therapeutic potential of the roots of T. vogelii .
(© 2024 Walter de Gruyter GmbH, Berlin/Boston.)
Databáze: MEDLINE
Externí odkaz: