Planta Med 2023; 89(14): 1406-1407
DOI: 10.1055/s-0043-1774214
Abstracts
Wednesday 5th July 2023 | Poster Session III
Molecular modelling/ Virtual screening/ Metabolomics/Molecular networking/ Chemometrics and profiling

Identification of anti-tuberculosis compounds from commercial essential oils using a biochemometrics approach

Maxleene Sandasi
1   Department of Pharmaceutical Sciences, Tshwane University of Technology, Pretoria, South Africa
2   SAMRC Herbal Drugs Research Unit, Tshwane University of Technology, Pretoria, South Africa
,
Katyna J. Boussamba-Digombou
1   Department of Pharmaceutical Sciences, Tshwane University of Technology, Pretoria, South Africa
,
Guy Kamatou
1   Department of Pharmaceutical Sciences, Tshwane University of Technology, Pretoria, South Africa
,
Sandy van Vuuren
3   Department of Pharmacy and Pharmacology, University of Witwatersrand, Johannesburg, Pretoria
,
Rafal Sawicki
4   Department of Biochemistry and Biotechnology, Faculty of Pharmacy, Medical University of Lublin, Lublin, Poland
,
Alvaro Viljoen
1   Department of Pharmaceutical Sciences, Tshwane University of Technology, Pretoria, South Africa
2   SAMRC Herbal Drugs Research Unit, Tshwane University of Technology, Pretoria, South Africa
› Institutsangaben
 
 

    Essential oils are a rich source of bioactive compounds with potential anti-infective properties that can be used against a range of pathogens including Mycobacterium strains. Drug-resistant Tuberculosis (TB), caused by Mycobacterium tuberculosis, has become prevalent, due to the emergence of M. tuberculosis resistant strains. The current study aimed to identify commercial EOs with anti-TB activity, as well as to predict the bioactive EO compounds using biochemometrics. The broth microdilution assay was used to determine the antimycobacterial activity of the EOs towards non-pathogenic M. smegmatis, M. gordonae and M. fortuitum. In parallel, the antimycobacterial activity towards the pathogenic M. tuberculosis strain was determined using the Alamar blue assay. The chemical profiles of the EOs were obtained through gas chromatography-mass spectrometry (GC-MS) analysis and biochemometrics was performed using orthogonal projections to latent structures discriminant analysis (OPLS-DA). The EOs that displayed broad spectrum antimycobacterial activity towards all four pathogens were Cinnamomum zeylanicum (minimum inhibitory concentration (MIC)=0.25, 0.50, 1.00 mg/mL and 8.00 µg/mL) and Levisticum officinale (MICs=0.50, 0.5, 0.5 mg/mL and 4 µg/mL) towards M. smegmatis, M. fortuitum, M. gordonae and M. tuberculosis, respectively. Biochemometrics analysis predicted the putative biomarkers to be cinnamaldehyde, thymol, eugenol, 5-heptylcyclohexa, 1,3-diene, geranyl butyrate and α-calacorene and cinnamaldehyde (MIC=0.03 - 0.25 mg/mL) was the most active compounds towards M. fortuitum, M. smegmatis and M. gordonae. This study successfully established the chemical correlation between EOs and their antimicrobial activity against Mycobacterium species through the application of biochemometrics.


    Publikationsverlauf

    Artikel online veröffentlicht:
    16. November 2023

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