Determination of Phenolic Content, Biological Activity, and Enzyme Inhibitory Properties with Molecular Docking Studies of Rumex nepalensis, an Endemic Medicinal Plant

Ercan Bursal^1, , Mustafa Abdullah Yılmaz², Abdülmelik Aras³, Fikret Türkan⁴, Ümit Yildiko⁵, Ömer Kılıç⁶ and Abhijit Dey⁷

¹Department of Nursing, Faculty of Health, Muş Alparslan University, Mus, Turkey

²Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Dicle University, Diyarbakır, Turkey

³Department of Biochemistry, Faculty of Science and Arts, Igdır University, Igdır, Turkey

⁴Health Services Vocational School, Igdır University, Igdır, Turkey

⁵Department of Bioengineering, Kafkas University, Kars, Turkey

⁶Department of Pharmaceutical Sciences, Pharmacy Faculty, Adıyaman University, Adıyaman, Turkey

⁷Department of Life Sciences, Presidency University, Kolkata, India

Cite this paper:
Ercan Bursal, Mustafa Abdullah Yılmaz, Abdülmelik Aras, Fikret Türkan, Ümit Yildiko, Ömer Kılıç and Abhijit Dey. Determination of Phenolic Content, Biological Activity, and Enzyme Inhibitory Properties with Molecular Docking Studies of Rumex nepalensis, an Endemic Medicinal Plant. Journal of Food and Nutrition Research. 2021; 9(3):114-123. doi: 10.12691/jfnr-9-3-3

Abstract

This study was conducted to evaluate the phenolic content, antioxidant potential, and enzyme inhibitiory properties of Rumex nepalensis by in vitro spectrophotometric methods. The experiments demonstrated that glutathione S-transferase (GST), α-glycosidase (α-Gly), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) enzymes were strongly inhibited by R. nepalensis extracts. The IC₅₀ values for GST, α-Gly, AChE, and BChE enzyme inhibitions were calculated as 21.01 mg/mL, 34.65 mg/mL, 27.72 mg/mL, and 17.32 mg/mL, respectively. Also, effective antioxidant capacities of water and methanol extracts of R. nepalensis were determined by ABTS, CUPRAC, DPPH, and FRAP methods. Furthermore, quinic acid (15.61 mg/g), miquelianin (2.06 mg/g), quercitrin (1.97 mg/g), and protocatechuic acid (0.217 mg/g) were identified to be the major phenolic compounds of the plant extract according to the LC-MS/MS analysis. Finally, molecular docking studies were carried out to show the interactions of quinic acid, miquelianin, and quercitrin with AChE, BChE, GST, and α-Gly enzymes. Docking analysis indicated the possible roles of these phytochemicals in enzyme inhibitory activities.

Keywords:
biological activity enzyme inhibition molecular docking phenolic compounds Rumex

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