Screening in silico of xanthine oxidase enzyme inhibitory effects of compounds in Kaempferia galanga L. to support gout treatment

Year 2025, Volume: 29 Issue: 6, 2419 - 2430, 02.11.2025

Bui Thanh Tung , Le Thi Huong Tong Thi Thu Hoa

https://doi.org/10.12991/jrespharm.1798031

Abstract

The medicinal plant Kaempferia galanga L. (K. galanga L.) has long been used in India for the treatment of many diseases such as cold, fever, headache, dizziness, gastritis, hematemesis, mouth ulcers, etc. This study was aimed at evaluating the XO enzyme inhibitory potential of K. galanga L. rhizome extract in vitro and in silico. Samples of K. galanga L. were extracted with 70% ethanol and subsequently fractionated with n-Hexane, ethyl acetate (EtOAc), and water extract. The method of Abu-Gharbieh et al. was used to evaluate the XO enzyme inhibitory potential of the extracted fractions. Subsequently, molecular docking method was used to screen the most potent XO enzyme inhibitory compounds in the fraction. The results showed that the n-hexane fraction exhibited the strongest inhibitory effect on XO enzyme, with an IC50 value of 60.77 ± 2.21 µg/mL. Among the nine compounds in this fraction, ethyl cinnamate and (-)- sandaracopimaradiene were predicted to be the most promising, with low binding free energy, multiple interactions with amino acids at the active site of proteins, and favorable pharmacokinetic and toxicological profiles. In conclusion, our results suggest that the rhizome extract of K. galanga L. has the potential to inhibit XO enzyme in supporting the treatment of gout. Therefore, further studies in vivo models are needed so that these compounds can become supportive drugs for the treatment of gout in the future.

Keywords

Xanthine oxidase , extract , molecular docking , Kaempferia galangal L , gout

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