Curcumin, the major compound of Curcuma longa L, has been proven to have the toxicity effect on prostate cancer cell. This research was aimed to study the affinity and interaction of curcumin and its analogs as compettitive inhibitor to androgen hormon before working in vitro/in vivo research. Curcumin and its analogs were transformed into 3D structure, then docked to androgen receptor (3B67). The data of Gibbs energy (?G) value showed stability interaction between ligand and androgen receptor residues. The docking results showed that curcumin and its analogs have potential as inhibitor on androgen receptor. Based on results ?G score, analog 4 (1,7-bis-(3,4-dihydroxy-phenyl)-hepta-1,6-diene-3,5-dione) has highest potential as the inhibitor for androgen receptor.
Table S1. Databases and software used and their detailed information. Database Name Version Website links References NCBI database Update 2021 https://www.ncbi.nlm.nih.gov/ [1] BLAST database
Moringa oleifera is a tropical plant in the Moringaceae family that contains a lot of bioactive compounds. This study aimed to isolate and characterize the enzyme xanthine oxidase (XO), and conducted inhibitory tests on XO using methanol extracts of M. oleifera leaves. The xanthine oxidase enzyme isolated from bovine milk was characterized to determine the optimum pH, temperature, and substrate concentration. XO inhibition was evaluated by in vitro and in silico methods. The results of XO isolation and characterization of bovine milk showed the optimum conditions at pH 6.5, substrate concentration of 0.1 mM, and temperature 35 °C with an activity rate of 32.47 mU/mL; 21.55 mU/mL, and 21.94 mU/mL. Inhibition analysis results on methanol extract of M. oleifera leaves showed the highest activity decrease at the extract concentration of 160 ppm, with a relative inhibition value of 21.35%, while allopurinol as a positive control has a relative value inhibition of 61.21%. Relative value inhibition indicated the potential of M. oleifera leaves as a source of medicinal plants for gout sufferers. Additionally, a computational analysis was performed to observe the molecular interaction between the primary compounds of M. oleifera leaves, i.e., 5-O-acetyl-thio-octyl-β-L-rhamnofuranoside, quinic acid, and 2-dimethyl(trimethylsilylmethyl)silyloxymethyltetrahydrofuran, and XO using the molecular docking method. The finding implied that these compounds are bound to the catalytic sites of XO by hydrogen bonds and hydrophobic interactions, indicating the primary compounds of M. oleifera leaves could become XO inhibitors to treat gout disease.
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