In-vitro and in-silico investigation of α-amylase and α-glucosidase inhibition using Chamaecostus cuspidatus leaf for diabetes mellitus

Abstract

Abstract Chamaecostus cuspidatus is a mysterious plant with potential therapeutic properties for the amelioration of diabetic mellitus and related complications. This investigation aims to determine the potential phytochemicals through GCMS, FTIR, and NMR techniques. The objective is to perform in-vitro assays on the extract to evaluate its potential in various domains including antioxidant, antidiabetic, anti-inflammatory, antibacterial, and anticancer effects. The extract of methanol has demonstrated significant antioxidant properties due to its high phenolic content (3.523 mg GAE/g), flavonoid content (2.55 mg QE/g), and total tannin content (2.133 mg TAE/g). GC-MS analysis of leaf extract depicted the presence of 16 bioactive compounds among 9-octadecenamide, 7-nonenamide, 13-docosenamide, and hexadecanamide are enrich essential fatty acids. The NMR spectrum of 13C confirms the presence of functional bioactive compounds. This work includes molecular computational studies, specifically protein-ligand docking energy and ADMET analysis. Selected screened compounds including akuammilan-17-ol, nor-diazepam, 1,2-benzene dicarboxylic acid, and standard metformin were investigating the interaction against α-amylase and α-glucosidase. The ligand of nor-diazepam showed the highest binding affinity compared to akuammilan-17-ol, 1,2-benzene dicarboxylic acid, and metformin; therefore, nor-diazepam could be the focus of more in-depth research.