Molecular docking of phenolic compounds and screening of antioxidant and antidiabetic potential of Moringa oleifera ethanolic leaves extract from Qassim region, Saudi Arabia

Sridevi Chigurupati; Atheer Al-Murikhy; Suliman A Almahmoud; Yosif Almoshari; Amira Saber Ahmed; Shantini Vijayabalan; Shatha Ghazi Felemban; Vasanth Raj Palanimuthu

doi:10.1016/j.sjbs.2021.10.021

Molecular docking of phenolic compounds and screening of antioxidant and antidiabetic potential of Moringa oleifera ethanolic leaves extract from Qassim region, Saudi Arabia

Saudi J Biol Sci. 2022 Feb;29(2):854-859. doi: 10.1016/j.sjbs.2021.10.021. Epub 2021 Oct 13.

Authors

Sridevi Chigurupati¹, Atheer Al-Murikhy¹, Suliman A Almahmoud¹, Yosif Almoshari², Amira Saber Ahmed³, Shantini Vijayabalan⁴, Shatha Ghazi Felemban⁵, Vasanth Raj Palanimuthu⁶

Affiliations

¹ Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Qassim University, Buraidah 52571, Saudi Arabia.
² Department of Pharmaceutics, College of Pharmacy, Jazan University, Jazan 45142, Saudi Arabia.
³ Hormones Department, Medical Research and Clinical Studies Institute, National Research Centre, Giza, Egypt.
⁴ School of Pharmacy, Faculty of Health and Medical Sciences, Taylor's University, Subang Jaya, Kuala Lumpur 47500, Malaysia.
⁵ Department of Medical Laboratory Science, Fakeeh College for Medical Sciences, Jeddah, Kingdom of Saudi Arabia.
⁶ Department of Pharmaceutical Biotechnology, JSS College of Pharmacy, JSS Academy of Higher Education & Research, Ooty, Nilgiris, Tamilnadu, India.

Abstract

Introduction: Oxidative stress is crucial in diabetic pathophysiology, hence the prerequisite of ingesting naturally derived antioxidants as a remedial target. This study investigates the naturally occurring antioxidant and antidiabetic potential of Moringa oleifera ethanolic leaves extract.

Methods: Moringa oleifera leaves were macerated (MOLE) by using 70% ethanol. Physiochemical and phytochemical examinations of MOLE was assayed using standard methods. The antioxidant activity was analyzed by DPPH (1, 1-diphenyl-2-picrylhydrazil) radical scavenging assay. In vitro antidiabetic was analyzed by pancreatic α-amylase enzyme inhibitory assay. The molecular docking was performed using AutoDock Vina v1.1.2 in PyRx 30.8.

Results: Ethanolic extraction of MOLE by maceration technique, 14 % yield. Loss on drying, foreign organic matters and total ash value of OLE showed 0.27 w/w, 0.8 % and 19 %, respectively. Phytochemical test on MOLE confirmed starch, carbohydrate, flavonoid, gum, glycoside, saponin, tannin, and phenol presences. The total phenolic and flavonoid contents of MOLE are 260 mg GAE/g and 755 mg RUE/g of extract. MOLE (IC 50 55.6 ± 0.18 µg/mL) showed functional DPPH scavenging assay comparable to ascorbic acid (IC 50 46.71 ± 0.24 µg/mL). In the alpha-amylase inhibitory activity, Acarbose showed an IC 50 value of 19.45 ± 0.26 µg/mL, while MOLE portrayed an IC 50 value of 27.54 ± 0.07 µg/mL. Docking studies revealed that most phenolic compounds found within MOLE have minimum docking scores and high binding affinity against Human pancreatic alpha-amylase.

Conclusions: The invitro and docking results suggest that MOLE has been a viable natural bioactive source and might be a great potential source for future antidiabetic medicine.

Keywords: Antidiabetic; Antioxidant; Molecular docking; Moringa oleifera; Physicochemical; Phytochemical.