Integrating In Silico and In vitro Approaches to Screen the Antidiabetic Properties from Trachyspermum ammi leaves

Abstract

AIM: The purpose of this study was to explore the possible mechanisms through which Trachyspermum ammi may be beneficial in managing diabetes by in vitro methods and to predict the potential bioactive constituent/s responsible for its anti-diabetic activity through in silico docking study. Study Design: This study engaged in vitro and in silico studies to investigate the enzyme inhibition assay and molecular docking studies of phytochemical constituents when compare with standard treatment. Place and Duration of Study: Gokaraju Rangaraju college of pharmacy, Bachupally, Hyderabad, India. December 2021-2022. Methodology: Methanolic leaf extract of Trachyspermum ammi was prepared using maceration extraction. Plant extract was evaluated for its in vitro anti-diabetic activity. Further, docking screening was performed using Mcule software to predict potential moiety which may be responsible for its anti-diabetic activity. Results: Maceration extraction resulted in extractive yield of 16.15%. The presence of phenolic and flavonoid components in extract (135.59 ± 8.87 GAE/gm and 62.1 ± 4.17 quercetin/gm) dried extract respectively. In vitro anti-diabetic assays revealed that anti-hyperglycaemic activity of this plant can be attributed to its high efficiency to inhibit α-amylase (69.7%) and glucosidase (62.23%) enzymatic activity and protein glycation assay (95.23%), which are well established targets for the management of diabetes. Further, through docking studies we predicted that Apigenin, luteolin, Germacrene D and γ-Tocopherol present in this plant might be responsible for the anti-diabetic properties exhibited by this plant. These results provide a scientific justification for the traditional anti-diabetic use of this plant Conclusion: It may control diabetes through lowering dietary glucose uptake. Predicted anti-diabetic molecules need to be screened further for the management of hyperglycemia. It may conclude that Trachyspermum ammi is an important vegetable with a potent source of natural antioxidants and antidiabetic activity justifying its traditional use in green therapeutics.