Tropical Journal of Pharmaceutical Research

Original Research Article | OPEN ACCESS

Molecular docking studies of natural compounds of naringin on enzymes involved in the urea cycle pathway in hyperammonemia

Ramakrishnan Arumugam¹, Renuka Mani², Amalan Venkatesan¹, Senthilmurugan Sengamalai³, Vijayakumar Natesan¹ , Sung-Jin Kim⁴

¹Department of Biochemistry and Biotechnology, Annamalai University, Tamilnadu, India; ²Department of Biotechnology, Periyar University, Tamilnadu, India; ³Department of Zoology, Annamalai University, Tamilnadu, India; ⁴Department of Pharmacology and Toxicology, Metabolic Diseases Research Laboratory, School of Dentistry, Kyung Hee University, Republic of Korea.

For correspondence:- Vijayakumar Natesan Email: kimsj@khu.ac.kr Tel:+8229610868

Accepted: 16 April 2020 Published: 31 May 2020

Citation: Arumugam R, Mani R, Venkatesan A, Sengamalai S, Natesan V, Kim S. Molecular docking studies of natural compounds of naringin on enzymes involved in the urea cycle pathway in hyperammonemia. Trop J Pharm Res 2020; 19(5):1037-1043 doi: 10.4314/tjpr.v19i5.19

© 2020 The authors.
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Abstract

Purpose: To investigate the anti-hyperammonemic activity of naringin by molecular docking via in silico studies.

Methods: Urea cycle proteins were docked to the natural compound naringin as well as a standard drug, sodium benzoate. Hydrogen bonds and binding energy were obtained using Catalytic Site Atlas and Cast P Finder Software Tool.

Results: There were six urea cycle enzymes, including N-acetyl glutamate synthase, carbamoyl phosphate synthase I, ornithine transcarbamylase, argininosuccinate synthase, argininosuccinate lyase and arginase I. On evaluating protein interactions with naringin, which is dynamically connected to the urea cycle pathway with hyperammonemia, naringin showed more hydrogen bonds and also produced higher binding energy when compared to the standard drug, sodium benzoate.

Conclusion: The results of the molecular docking study show that naringin interacts with urea cycle enzymes with more hydrogen bonds and higher bonding energy than the standard drug, sodium benzoate. This supports the hypothesis that naringin can prevent experimental hyperammonemia.

Keywords: Naringin, Sodium benzoate, Hyperammonemia, Urea cycle enzymes, In silico studies