Dental Journal (Majalah Kedokteran Gigi)
Vol. 54 No. 4 (2021): December 2021

Bioinformatic approach of propolis as an inhibitor of peptidoglycan glycosyltransferase to improve antibacterial agent: An in-silico study

Imelia Arifatus Sani (Faculty of Dentistry, Brawijaya University, Malang)
Siska Maulidina Cahyani (Faculty of Dentistry, Brawijaya University, Malang)
Safira Fariha (Faculty of Dentistry, Brawijaya University, Malang)
O. Oliresianela (Faculty of Dentistry, Brawijaya University, Malang)
D. Diah (Faculty of Dentistry, Brawijaya University, Malang)



Article Info

Publish Date
20 Dec 2021

Abstract

Background: In Indonesia, the prevalence of dental and oral problems is still high at 57.6% in 2018, especially periodontitis at 74.1%. Peptidoglycan is an essential component of the bacterial cell wall. Peptidoglycan glycosyltransferase (PGT) is a protein target that plays a role in transferring lipid disaccharides II to growing glycan chains for bacterial cell wall synthesis. Propolis is a natural ingredient produced by bees and has anti-inflammatory, antibacterial, antiviral and antioxidant properties so that it has the potential to be a natural mouthwash ingredient. One of the antibacterial properties of propolis is to be able to kill and reduce the number of bacteria that cause periodontitis. Purpose: This study aims to investigate the potential of a specific compound of propolis as an inhibitor of protein peptidoglycan glycosyltransferase through bonding interactions. Methods: The method used is an in-silico test in molecular docking with computational software, namely Molegro virtual docker and Discovery Studio visualizer. Results: This study showed the types of bonds between the four compounds, and chlorhexidine as a control showed similar types of bonds, including hydrogen bonds, hydrophobic interactions and unfavourable bonds. The binding energy values of each of the five compounds were pinocembrin -222.166 kJ/mol, hesperetin -230.144 kJ/mol, chrysin -219.45 kJ/mol, caffeic acid phenethyl ester -266.64 kJ/mol and chlorhexidine -362.71 kJ/mol. Conclusion: Caffeic acid phenethyl ester (CAPE) is the most significant potential as an inhibitor of protein peptidoglycan glycosyltransferase and chlorhexidine has the highest binding affinity than the four propolis compounds, followed by caffeic acid phenethyl ester in propolis in silico.

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Journal Info

Abbrev

MKG

Publisher

Subject

Dentistry

Description

The Dental Journal (Majalah Kedokteran Gigi) (e-ISSN:2442-9740; p-ISSN:1978-3728) is published by the Faculty of Dental Medicine, Universitas Airlangga. Its diciplinary focus is dental science and dental hygiene. The Dental Journal (Majalah Kedokteran Gigi) is published in English on a quarterly ...