Virtual Screening Of Protein Tyrosine Phosphatase 1b In Search For Natural Products With Potential Activity Againts Diabetes Mellitus Type 2

Simple item page
dc.contributor.authorHo, Yueng Hsing
dc.date.accessioned2019-04-30T07:15:01Z
dc.date.available2019-04-30T07:15:01Z
dc.date.issued2018-05
dc.description.abstractThe world population of diabetes mellitus patients had reached 422 million in the year 2014 and projected to be the seventh leading cause of death in the year 2030 by World Health Organization. Type 2 Diabetes Mellitus (T2DM) was responsible for 90-95% of all diabetes and it had affected approximate 6% of the adult population in the western society. In Malaysia, the prevalence of T2DM had doubled from 8.3% (1996) to 17.5% (2015) in duration of ten years. Now, 1 out of 5 Malaysian are diabetic and with over 45% of overweight and obese population with 1 million obese children. This study involved virtual screening of the Natural Product Discovery (NADI) database compounds against protein tyrosine phosphatase 1B (PTP1B) using two in silico methods, molecular docking (structurebased virtual screening) and pharmacophore mapping (ligand-based virtual screening), in order to predict their anti-diabetic properties. PTP1B is a negative regulator of both insulin and leptin signalling pathways. Evidence had shown that PTP1B inhibitors might be a convincing drug target for T2DM patients and at-risk obese patients. 4000 compounds from NADI database were virtually screened using AutoDock 4.2 while 1933 ligands were mapped to pharmacophore model HYPO1 using Discovery Studio 2.5. 18 plants were selected after cross examine the lowest binding energy (FEB), fit value, ligand-protein conformation, ligand-protein interactions, the population of the related compound and commercial availability in the virtually active top hits from two virtual screening results. 20 extracts from 18 selected plants were then subjected to in vitro enzymatic assay. Pandanus amaryllifolius (leaves) showed highest inhibitory at 94.38% followed by Vitex negundo (leaves) (89.03%), Piper nigrum (fruits) (81.39%), Cymbopogon nardus (leaves) (79.78%), Cymbopogon nardus (peel) (66.90%), Cymbopogon nardus (leaves) (66.02%) and Manilkara zapota (fruits) (62.06%).en_US
dc.identifier.urihttp://hdl.handle.net/123456789/8124
dc.language.isoenen_US
dc.publisherUniversiti Sains Malaysiaen_US
dc.subjectVirtual screening of protein tyrosine phosphataseen_US
dc.subjectpotential activity against diabetes mellitus type 2en_US
dc.titleVirtual Screening Of Protein Tyrosine Phosphatase 1b In Search For Natural Products With Potential Activity Againts Diabetes Mellitus Type 2en_US
dc.typeThesisen_US
Files
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Pusat Pengajian Sains Farmasi - Tesis