DATA ANALYSIS OF SECONDARY METABOLITES IN SILVER OAK PLANT (Grevillea robusta A.Cunn. ex R.Br.) FOR ANTIBACTERIAL EFFECTS AGAINST FtsZ

Bùi Quốc Dũng

doi:10.34238/tnu-jst.9262

DATA ANALYSIS OF SECONDARY METABOLITES IN SILVER OAK PLANT (Grevillea robusta A.Cunn. ex R.Br.) FOR ANTIBACTERIAL EFFECTS AGAINST FtsZ

About this article

Received: 20/11/23 Revised: 05/03/24 Published: 11/03/24

Authors

Bui Quoc Dung , Buon Ma Thuot Medical University

Abstract

Many studies have indicated that the silver oak tree contains numerous compounds with antibacterial properties, mainly targeting a novel bacterial target, FtsZ. This research aimed to predict the molecular-scale inhibitory potential against FtsZ, supporting experimental studies. Secondary metabolites of silver oak were gathered from articles in the Pubmed and Researchgate libraries. The crystal structure 6YD5 from the protein database (RCSB) was utilized. Raw data and post-docking results were processed and visualized using the Python programming language with the Visual Studio Code text editor and supporting libraries like pandas, matplotlib, and seaborn. 125 compounds in 9 articles from 2000 to 2021 were collected. The most prominent group is phenols, with 105 compounds. 68 compounds underwent docking in 103. Quercetin, a flavonoid, had the lowest docking score at -22.7 kJ/mol. Simple phenolic compounds (phenolic acid, phenolic ester, another subgroup with simple phenol structure, coumarin) and polyphenols (flavonoids) are potential anti-bacterial compounds by anti-FtsZ mechanism. Ethyl acetate and chloroform fractions show good potential for inhibiting FtsZ. Leaves and flowers are recommended for extraction.

Keywords

Grevillea robusta; Phenolic; FtsZ; Docking; Antibacterial

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DOI: https://doi.org/10.34238/tnu-jst.9262

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