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Mode Action Prediction of Butein as Antibacterial Oral Pathogen against Enterococcus faecalis ATCC 29212 and as Inhibitor of MurA Enzyme: In Vitro and In Silico Study

  • Background:The MurA enzyme, enolpyruvyl UDP-N-acetylglucosamine transferase, is one of the targeted proteins by antibiotic for effective treatment of diseases provided by pathogenic bacteria. It is a key role in cell wall biosynthesis of Gram-positive bacteria such as Enterococcus faecalis. Butein is a flavonoid that showed antioxidant and anticancer activities, but recently it is a promising antibacterial agent and reported can inhibit E. faecelis, Eschericia coli, and Mycobacterium tuberculosis. It was isolated from medicinal plants including Sarang Semut (Myrmecodia pendans). However, the molecular mechanism of butein inhibits bacteria that it is no clear. Objective: This study aims to predict the molecular action of the butein against MurA catalyzing the first step of peptidoglycan biosynthesis. Materials and Methods: Butein isolation used a combinational separation technic and characterization using spectroscopic methods. Then, in silico method used was virtual screening using programs including Autodock Vina in PyRx, protein.plus, and ligplots. Butein and UDP-N-acetylglucosamine (UNAG as a positive control) act as ligand were subject binding to 3KQJ MurA as protein. To evaluate in vitro antibacterial activity, we used Kirby-Bauer method. Results: Butein from M. pendans is a potential compound to inhibit the MurA with binding affinity -7.6 kcal.mol-1. It is lower than UNAG but higher than Fosfomycin as MurA inhibitor. Butein attaches to MurA in the same position as UNAG so that it concludes that both is a competitive inhibitor. Meanwhile, in vitro study showed that butein inhibit the E. faecalis growth with MIC of 0.62 mg/ml. Conclusions: Butein as a potent antibacterial agent through blocking MurA enzyme in cell wall formation.

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    data riset artikel dengan judul : Mode Action Prediction of Butein as Antibacterial Oral Pathogen against Enterococcus faecalis ATCC 29212 and as Inhibitor of MurA Enzyme: In Vitro and In Silico Study Mieke Hemiawati Satari*a, Ameta Primasarb, Hendra Dian Adhita Dharsonoc, Eti Apriyantid, Maria Matoetina Suprijonae, Yetty Herdiyatif, and Dikdik Kurnia*d. (sedang proses penerbitan ke jurnal internasional)

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Author:Mieke Hemiawati Satari, Ameta Primasari, Hendra Dian Adhita Dharsono, Eti Apriyanti, Maria Matoetina Suprijono, Yetty Herdiyati Sumantadiredja, Dikdik Kurnia
Parent Title (English):Mode Action Prediction of Butein as Antibacterial Oral Pathogen against Enterococcus faecalis ATCC 29212 and as Inhibitor of MurA Enzyme
Subtitle (English):In Vitro and In Silico Study
Document Type:Research Data
Language:English
Date of Publication (online):2020/09/30
Date of first Publication:2020/09/30
Release Date:2020/10/15
GND Keyword:Butein; Enterococcus faecalis; MurA; Oral Bacteria; in silico; in vitro
Licence (Indonesia):License LogoPeraturan Serah Simpan