DNA protection, molecular docking, antioxidant, antibacterial, enzyme inhibition, and enzyme kinetic studies for parietin, isolated from Xanthoria parietina (L.) Th. Fr.
- Author:
- Yenigun S., Ipek Y., Marah S., Demirtas I. & Ozen T.
- Year:
- 2024
- Journal:
- Journal of Biomolecular Structure and Dynamics
- Pages:
- 42(2): 848–862
- Url:
- https://doi.org/10.1080/07391102.2023.2196693
Parietin was isolated from Xanthoria parietina (L.) Th. Fr.’ (methanol:chloroform) extract, using a silica
column. 13 C NMR and 1H NMR were used to confirm the structure of the isolated parietin. For the
first time, parietin was investigated for its antioxidant, antibacterial and DNA protective activities.
Molecular docking was carried out to determine the binding affinity and interactions between the
enzymes and our molecule. Inhibition and kinetic mechanism studies for the action of the enzymes
were performed too. Parietin exhibited high metal chelating activity. The MIC values of parietin were
sufficient to inhibit different bacterial strains; E. coli, P. aeruginosa, K. pneumoniae and S. aureus.
Molecular docking applications exhibited that acetylcholinesterase (AChE), butyrylcholinesterase
(BChE), lipase, and tyrosinase have high potential for binding with the parietin. Especially, the parietin’s
highest binding affinity was recorded with AChE and tyrosinase. These results were confirmed by the
inhibition and kinetics results, where, parietin observed a potent inhibition with an IC50 values
between 0.013-0.003 mM. Moreover, parietin acts’ as a non-competitive inhibitor against AChE, BChE,
and lipase, and as a competitive inhibitor against tyrosinase with a high rate of inhibition stability. The
promising biological properties of parietin revealed its effectiveness in terms of suitability in the food
and pharmaceutical industries.
Keywords: Xanthoria parietina; parietin; antioxidant; antimicrobial; DNA protective; enzyme inhibition; kinetic mechanism; molecular docking.
- Id:
- 36422
- Submitter:
- zpalice
- Post_time:
- Monday, 15 April 2024 17:13