Bedoukian   RussellIPM   RussellIPM   Piezoelectric Micro-Sprayer


Home
Animal Taxa
Plant Taxa
Semiochemicals
Floral Compounds
Semiochemical Detail
Semiochemicals & Taxa
Synthesis
Control
Invasive spp.
References

Abstract

Guide

Alphascents
Pherobio
InsectScience
E-Econex
Counterpart-Semiochemicals
Print
Email to a Friend
Kindly Donate for The Pherobase

« Previous AbstractSerotonergic signaling plays a deeply conserved role in improving oocyte quality    Next AbstractPathogen-activated induced resistance of cucumber: response of arthropod herbivores to systemically protected leaves »

Comb Chem High Throughput Screen


Title:Potential of MurA Enzyme and GBAP in Fsr Quorum Sensing System as Antibacterial Drugs Target: In vitro and In silico Study of Antibacterial Compounds from Myrmecodia pendans
Author(s):Apriyanti E; Satari MH; Kurnia D;
Address:"Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Padjadjaran, Sumedang, Indonesia. Department of Oral Biology, Faculty of Dentistry, Universitas Padjadjaran, Sumedang, Indonesia"
Journal Title:Comb Chem High Throughput Screen
Year:2021
Volume:24
Issue:1
Page Number:109 - 118
DOI: 10.2174/1386207323666200628111348
ISSN/ISBN:1875-5402 (Electronic) 1386-2073 (Print) 1386-2073 (Linking)
Abstract:"BACKGROUND: Increasing the resistance issue has become the reason for the development of new antibacterial in crucial condition. Many ways are tracked to determine the most effective antibacterial agent. Some proteins that are a key role in bacteria metabolism are targeted, including MurA in cell wall biosynthesis and gelatinase biosynthesis-activating pheromone (GBAP) in Fsr Quorum Sensing (QS) system. OBJECTIVE: The objective of this research is the analysis of compounds 1-4 from M. pendans as antibacterial and anti-QS activity trough protein inhibition by in silico study; focus on the structure-activity relationships, to appraise their role as an antibacterial and anti-QS agent in the molecular level. METHODS: Both activities of M. pendans compounds (1-4) were analyzed by in silico, compared to Fosfomycin, Ambuic acid, Quercetin, and Taxifolin as a standard. Chemical structures of M. pendans compounds were converted using an online program molview. The compounds were docked to MurA, GBAP, gelatinase and serine protease using Autodock Vina in Pyrx 0.8 followed PYMOL to visualization and proteis.plus program to analyze of the complex. RESULTS: All compounds from M. pendans bound on MurA, GBAP, gelatinase and serine protease except compound 2. This biflavonoid did not attach to MurA and serine protease yet is the favorable ligand for GBAP and gelatinase with the binding affinity of -6.9 and -9.4 Kcal/mol respectively. Meanwhile, for MurA and serine protease, compound 4 is the highest of bonding energy with values of -8.7 and -6.4 Kcal/mol before quercetin (MurA, -8.9 Kcal/mol) and taxifolin (serine protease, -6.6 Kcal/mol). CONCLUSION: Based on the data, biflavonoid acts better as anti-QS than an inhibitor of MurA enzyme while the others can be acted into both of them either the therapeutic agent of anti-QS or antibacterial agent of MurA inhibitor"
Keywords:Alkyl and Aryl Transferases/*metabolism Anti-Bacterial Agents/*chemistry/pharmacology Bacterial Proteins/*chemistry Biflavonoids/chemistry Drug Discovery Enzyme Inhibitors/*chemistry/pharmacology Gelatinases/metabolism Humans In Vitro Techniques Lactones/;
Notes:"MedlineApriyanti, Eti Satari, Mieke H Kurnia, Dikdik eng Research Support, Non-U.S. Gov't United Arab Emirates 2020/07/01 Comb Chem High Throughput Screen. 2021; 24(1):109-118. doi: 10.2174/1386207323666200628111348"

 
Back to top
 
Citation: El-Sayed AM 2024. The Pherobase: Database of Pheromones and Semiochemicals. <http://www.pherobase.com>.
© 2003-2024 The Pherobase - Extensive Database of Pheromones and Semiochemicals. Ashraf M. El-Sayed.
Page created on 22-11-2024