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Current Topics in Medicinal Chemistry


ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Review Article

In Silico and 3D QSAR Studies of Natural Based Derivatives as Xanthine Oxidase Inhibitors

Author(s): Neelam Malik, Priyanka Dhiman and Anurag Khatkar*

Volume 19, Issue 2, 2019

Page: [123 - 138] Pages: 16

DOI: 10.2174/1568026619666190206122640

Price: $65


Background: A large number of disorders and their symptoms emerge from deficiency or overproduction of specific metabolites has drawn the attention for the discovery of new therapeutic agents for the treatment of disorders. Various approaches such as computational drug design have provided the new methodology for the selection and evaluation of target protein and the lead compound mechanistically. For instance, the overproduction of xanthine oxidase causes the accumulation of uric acid which can prompt gout.

Objective: In the present study we critically discussed the various techniques such as 3-D QSAR and molecular docking for the study of the natural based xanthine oxidase inhibitors with their mechanistic insight into the interaction of xanthine oxidase and various natural leads.

Conclusion: The computational studies of deferent natural compounds were discussed as a result the flavonoids, anthraquinones, xanthones shown the remarkable inhibitory potential for xanthine oxidase inhibition moreover the flavonoids such as hesperidin and rutin were found as promising candidates for further exploration.

Keywords: In silico docking, Xanthine oxidase, Natural derivatives, Flavonoids, 3D QSAR, CADD.

Graphical Abstract
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