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. 2023 May 10:17:11779322231171774.
doi: 10.1177/11779322231171774. eCollection 2023.

Bioinformatics Analysis to Uncover the Potential Drug Targets Responsible for Mycobacterium tuberculosis Peptidoglycan and Lysine Biosynthesis

Dian Ayu Eka Pitaloka  1   2 , Afifah Izzati  1 , Siti Rafa Amirah  1 , Luqman Abdan Syakuran  3 , Lalu Muhammad Irham  4   5 , Athika Darumas Putri  6 , Wirawan Adikusuma  7   8
Affiliations

Bioinformatics Analysis to Uncover the Potential Drug Targets Responsible for Mycobacterium tuberculosis Peptidoglycan and Lysine Biosynthesis

Dian Ayu Eka Pitaloka et al. Bioinform Biol Insights. .

Abstract

Drug-resistant tuberculosis (TB), which results mainly from the selection of naturally resistant strains of Mycobacterium tuberculosis (MTB) due to mismanaged treatment, poses a severe challenge to the global control of TB. Therefore, screening novel and unique drug targets against this pathogen is urgently needed. The metabolic pathways of Homo sapiens and MTB were compared using the Kyoto Encyclopedia of Genes and Genomes tool, and further, the proteins that are involved in the metabolic pathways of MTB were subtracted and proceeded to protein-protein interaction network analysis, subcellular localization, drug ability testing, and gene ontology. The study aims to identify enzymes for the unique pathways for further screening to determine the feasibility of the therapeutic targets. The qualitative characteristics of 28 proteins identified as drug target candidates were studied. The results showed that 12 were cytoplasmic, 2 were extracellular, 12 were transmembrane, and 3 were unknown. Furthermore, druggability analysis revealed 14 druggable proteins, of which 12 were novel and responsible for MTB peptidoglycan and lysine biosynthesis. The novel targets obtained in this study are used to develop antimicrobial treatments against pathogenic bacteria. Future studies should further shed light on the clinical implementation to identify antimicrobial therapies against MTB.

Keywords: In silico drug targets; Mycobacterium tuberculosis; metabolic pathways; protein-protein interaction.

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Conflict of interest statement

The author(s) declared no potential conflicts of interest with respect to the research, authorship, and/or publication of this article.

Figures

Figure 1.
Figure 1.
A schematic representation of the methodology.
Figure 2.
Figure 2.
Protein-protein interaction of 29 proteins from non-host essential proteins from Mycobacterium tuberculosis.
Figure 3.
Figure 3.
Gene ontology analysis of 28 proteins from non-host essential proteins from MTB. Analysis of the proteins under the headings of biological process, molecular function, cellular compartment, and pathways. The x-axis shows significantly enriched categories of the proteins, and the y-axis shows the terms (P < .0001). KEGG, Kyoto Encyclopedia of Genes and Genomes; MTB, Mycobacterium tuberculosis.
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