Topology of boron substitutional defects in single-walled carbon nanotubes: A first-principles study
Author
Prachamon W., Jaiboon O., Komin S., Ruttanapun C., Limpijumnong S.
Affiliations
Faculty of Science and Technology, Rajamangala University of Technology Srivijaya, Nakhon Si Thammarat, 80110, Thailand; Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand; Marine Biotechnology Research Team, Integrative Aquaculture Biotechnology Research Group, National Center for Genetic Engineering and Biotechnology (BIOTEC), Pathum Thani, 12120, Thailand
Type
Article
Source Title
ASEAN Journal of Scientific and Technological Reports
ISSN
27738752
Year
2024
Volume
27
Issue
1
Page
68-79
Open Access
All Open Access, Hybrid Gold
Publisher
Thaksin University
DOI
10.55164/ajstr.v27i1.250948
Abstract
Xanthine oxidase (XO) is a crucial enzyme of the purine catabolism pathway, which catalyzes the reaction of hypoxanthine to xanthine and xanthine to uric acid. The high level of uric acid leads to gout, kidney disease, and several disorders. In this study, molecular docking was performed to investigate potential bioactive compounds from Thai medicinal plants that acted as XO inhibitors compared to commercial drugs. Among 30 bioactive compounds tested, 16 were classified as strong XO inhibitors. These compounds include asiatic acid, benzyl glucosinolate, beta-sitosterol, chlorogenic acid, curcumin, eupatorin, gamma-mangostin, hibiscitrin, lutein, nimbolide, piperine, quercetin, rosmarinic acid, rutin, sesamin, and vitexin. They exhibited binding affinity values ranging from-8.5 to-10.6 kcal/mol. Moreover, moderate XO inhibitors were identified with binding affinity of-6.2 to-8.0 kcal/mol, consisting of the 7 compounds of gallic acid, garcinia acid, gingerol, limonene, linalyl acetate, panduratin A, and scopoletin. As a result, Thai medicinal plants could serve as potential sources of bioactive compounds for further drug design for treating gout patients. ? 2024, Thaksin University. All rights reserved.
