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Type :thesis
Subject :QD Chemistry
Main Author :M. Nur Sidik
Title :Isolation of chemical constituents from Alphonsea sp and their in silico xanthine oxidase inhibitory activities
Place of Production :Tanjong Malim
Publisher :Fakulti Sains dan Matematik
Year of Publication :2022
Corporate Name :Universiti Pendidikan Sultan Idris
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Abstract : Universiti Pendidikan Sultan Idris
The aim of this study was to identify the chemical constituents from two species of Alphonsea sp., which were Alphonsea cylindrica and Alphonsea elliptica and their in silico xanthine oxidase inhibitory activities. The samples were dried, then extracted sequentially using hexane, dichloromethane, and methanol. Chemical constituents were isolated and purified through chromatographic techniques. The structure of the compounds were elucidated through spectroscopic data and comparison with literature. In silico based on molecular docking using YASARA program was carried out to study the inhibition mechanism and interactions of compounds against xanthine oxidase. Six chemical constituents were isolated; stigmasterol, atherospermidine, kinabaline, muniranine, methyl 4-hydroxy-3,5- dimethoxybenzoate and 3- hydroxy-4-methoxy-benzoic acid. Both methyl 4- hydroxy-3,5-dimethoxybenzoate and 3- hydroxy-4-methoxy-benzoic acid were firstly reported from Alphonsea sp. The results of the molecular docking study revealed that atherospermidine bind to active sites located in the FAD domain of xanthine oxidase which suggest it is a competitive inhibitor. Meanwhile, other compounds isolated are non-competitive inhibitors. In conclusion, six chemical compounds were isolated from Alphonsea sp and all interactions of the compounds with xanthine oxidase in silico were investigated. The findings of this study reveal the potential of Alphonsea sp. as remedy for gout.

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