Editor-in-Chief
Hatice Kübra Elçioğlu
Vice Editors
Levent Kabasakal
Esra Tatar
Online ISSN
2630-6344
Publisher
Marmara University
Frequency
Bimonthly (Six issues / year)
Abbreviation
J.Res.Pharm.
Former Name
Marmara Pharmaceutical Journal
Journal of Research in Pharmacy
2023 , Vol 27 , Issue 6
Molecular docking approach to identify xanthine oxidase inhibitory effect of bioactive compounds in Pogostemon cablin (Blanco) Benth
1Pharmacology Department, VNU University of Medicine and Pharmacy, Vietnam National University Hanoi, Viet Nam
DOI :
10.29228/jrp.532
Xanthine oxidase (XO) is a homodimeric enzyme found in many species, including humans responsible
for catalyzing the synthesis of uric acid from hypoxanthine using oxygen as a substrate. Pogostemon cablin (Blanco)
Benth. (P. cablin) has been widely used in traditional medicine for the treatment of gout. In this study, we used molecular
docking method to find bioactive compounds from Pogostemon cablin (Blanco) Benth. for inhibiting the XO enzyme. 78
bioactive compounds were collected based on previous Pogostemon cablin (Blanco) Benth publications. and evaluated
docking scores using Autodock vina software. Out of 78, four compounds had stronger inhibiting potential to XO target
than positive controls. Lipinski’s rule of five and ADMET property prediction analysis revealed positive results with
two compounds, acacetin and apigenin. Therefore, in vitro and in vivo studies should be carried out to verify these
compounds' XO inhibitory potential for future drug development.
Keywords :
Xanthine oxidase; Pogostemon cablin (Blanco) Benth; acacetin; apigenin; molecular docking