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
Tung BUI THANH1,Thao TRINH PHUONG1,Hang NGUYEN THU1,Phuong TRINH MAI1,Khanh DO THI HONG1,Thuy NGUYEN THI1
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
Marmara University