Abstract
Paederia foetida L. (Rubiaceae) is a climber which is widely distributed in Asian countries including Malaysia. The plant is traditionally used to treat various diseases including diabetes. This study is to evaluate the enzymatic inhibition activity of Paederia foetida twigs extracts and to identify the metabolites responsible for the bioactivity by gas chromatography-mass spectrometry (GC-MS) metabolomics profiling. Three different twig extracts, namely, hexane (PFH), chloroform (PFC), and methanol (PFM), were submerged for their α-amylase and α-glucosidase inhibition potential in 5 replicates for each. Results obtained from the loading column scatter plot of orthogonal partial least square (OPLS) model revealed the presence of 12 bioactive compounds, namely, dl-α-tocopherol, n-hexadecanoic acid, 2-hexyl-1-decanol, stigmastanol, 2-nonadecanone, cholest-8(14)-en-3-ol, 4,4-dimethyl-, (3β,5α)-, stigmast-4-en-3-one, stigmasterol, 1-ethyl-1-tetradecyloxy-1-silacyclohexane, ɣ-sitosterol, stigmast-7-en-3-ol, (3β,5α,24S)-, and α-monostearin. In silico molecular docking was carried out using the crystal structure α-amylase (PDB ID: 4W93) and α-glucosidase (PDB ID: 3WY1). α-Amylase-n-hexadecanoic acid exhibited the lowest binding energy of -2.28 kcal/mol with two hydrogen bonds residue, namely, LYS178 and TYR174, along with hydrophobic interactions involving PRO140, TRP134, SER132, ASP135, and LYS172. The binding interactions of α-glucosidase-n-hexadecanoic acid complex ligand also showed the lowest binding energy among 5 major compounds with the energy value of -4.04 kcal/mol. The complex consists of one hydrogen bond interacting residue, ARG437, and hydrophobic interactions with ALA444, ASP141, GLN438, GLU432, GLY374, LEU373, LEU433, LYS352, PRO347, THR445, HIS348, and PRO351. The study provides informative data on the potential antidiabetic inhibitors identified in Paederia foetida twigs, indicating the plant has the therapeutic effect properties to manage diabetes.
Highlights
Diabetes mellitus is a chronic metabolic disorder of the pancreas often referred to as diabetes and is characterized by highly elevated blood glucose levels with disturbances in carbohydrate, fat, and protein metabolism [1]
The p-nitrophenyl α-d-glucopyranoside, soluble starch, potassium sodium tartrate, 3,5-di-nitro salicylic acid (DNS), sodium hydroxide, dimethyl sulfoxide (DMSO), and other chemicals and solvents of analytical grade were purchased from Sigma
The α-amylase and α-glucosidase inhibition activity of P. foetida twigs extracts obtained from different solvent extracts are displayed in Table 1 as half maximal concentration values (IC50, μg/mL)
Summary
Diabetes mellitus is a chronic metabolic disorder of the pancreas often referred to as diabetes and is characterized by highly elevated blood glucose levels with disturbances in carbohydrate, fat, and protein metabolism [1]. World Health Organization (WHO) stated that an estimated 422 million adults were living with diabetes in 2014 compared to 108 million in 1980 [2]. The number of people with diabetes has nearly doubled since 1980, increasing from 4.7% to 8.5% in the adult population due to being overweight or obese. Prevalence of diabetes is rising faster in low- and BioMed Research International middle-income countries than in high-income countries. Diabetes triggered 1.5 million deaths globally in 2012 [2]
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