Dataset Information

Comparative study of the antidiabetic potential of Paederia foetida twig extracts and compounds from two different locations in Malaysia.

ABSTRACT: Context: Paederia foetida L. (Rubiaceae) is an edible plant distributed in Asian countries including Malaysia. Fresh leaves have been traditionally used as a remedy for indigestion and diarrhea. Several phytochemical studies of the leaves have been documented, but there are few reports on twigs. Objective: This study investigates the enzyme inhibition of P. foetida twig extracts and compound isolated from them. In addition, in silico molecular docking of scopoletin was investigated. Materials and methods: Plants were obtained from two locations in Malaysia, Johor (PFJ) and Pahang (PFP). Hexane, chloroform and methanol extracts along with isolated compound (scopoletin) were evaluated for their enzyme inhibition activities (10,000-0.000016?µg/mL). The separation and identification of bio-active compounds were carried out using column chromatography and spectroscopic techniques, respectively. In silico molecular docking of scopoletin with receptors (?-amylase and ?-glucosidase) was carried out using AutoDock 4.2. Results: The IC50 values of ?-amylase and ?-glucosidase inhibition activity of PFJ chloroform extract were 9.60 and 245.6?µg/mL, respectively. PFP chloroform extract exhibited ?-amylase and ?-glucosidase inhibition activity (IC50?=?14.83 and 257.2?µg/mL, respectively). The ?-amylase and ?-glucosidase inhibitory activity of scopoletin from both locations had IC50 values of 0.052 and 0.057?µM, respectively. Discussion and conclusions: Separation of PFJ chloroform extract afforded scopoletin (1), stigmasterol (2) and ?-sitosterol (3) and the PFP chloroform extract yielded (1), (2), (3) and ergost-5-en-3-ol (4). Scopoletin was isolated from this species for the first time. In silico calculations gave a binding energy between scopoletin and ?-amylase of -6.03?kcal/mol.

SUBMITTER: Tan DC

PROVIDER: S-EPMC6566874 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Comparative study of the antidiabetic potential of Paederia foetida twig extracts and compounds from two different locations in Malaysia.

Tan Dai Chuan DC Idris Ku Idayu KI Kassim Nur Kartinee NK Lim Pei Cee PC Safinar Ismail Intan I Hamid Muhajir M Ng Rou Chian RC

Pharmaceutical biology 20191201 1

Context: Paederia foetida L. (Rubiaceae) is an edible plant distributed in Asian countries including Malaysia. Fresh leaves have been traditionally used as a remedy for indigestion and diarrhea. Several phytochemical studies of the leaves have been documented, but there are few reports on twigs. Objective: This study investigates the enzyme inhibition of P. foetida twig extracts and compound isolated from them. In addition, in silico molecular docking of scopol ...[more]

PMID: 31185767

Similar Datasets

Project description: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 ?-amylase and ?-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-?-tocopherol, n-hexadecanoic acid, 2-hexyl-1-decanol, stigmastanol, 2-nonadecanone, cholest-8(14)-en-3-ol, 4,4-dimethyl-, (3?,5?)-, stigmast-4-en-3-one, stigmasterol, 1-ethyl-1-tetradecyloxy-1-silacyclohexane, ?-sitosterol, stigmast-7-en-3-ol, (3?,5?,24S)-, and ?-monostearin. In silico molecular docking was carried out using the crystal structure ?-amylase (PDB ID: 4W93) and ?-glucosidase (PDB ID: 3WY1). ?-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 ?-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.

Dataset Information

Comparative study of the antidiabetic potential of Paederia foetida twig extracts and compounds from two different locations in Malaysia.

Publications

Comparative study of the antidiabetic potential of <i>Paederia foetida</i> twig extracts and compounds from two different locations in Malaysia.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets