Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2023 Dec 5:11:1287599.
doi: 10.3389/fchem.2023.1287599. eCollection 2023.

GC-MS profiling of Bacillus spp. metabolites with an in vitro biological activity assessment and computational analysis of their impact on epithelial glioblastoma cancer genes

Muhammad Naveed  1 , Huda Ishfaq  1 , Shafique Ur Rehman  2 , Aneela Javed  3 , Muhammad Waseem  1 , Syeda Izma Makhdoom  1 , Tariq Aziz  4 , Metab Alharbi  5 , Abdulrahman Alshammari  5 , Abdullah F Alasmari  5
Affiliations

GC-MS profiling of Bacillus spp. metabolites with an in vitro biological activity assessment and computational analysis of their impact on epithelial glioblastoma cancer genes

Muhammad Naveed et al. Front Chem. .

Abstract

Background: Bacterial metabolites play a crucial role in human health and have proven effective in treating various diseases. In this study, the 16S rRNA method and streaking were employed to isolate and molecularly identify a bacterial strain, with the goal of characterizing bioactive volatile metabolites extracted using nonpolar and polar solvents. Methods: Gas chromatography-mass spectrometry (GC-MS) analysis was conducted to identify 29 compounds in the bacterial metabolites, including key compounds associated with Bacillus spp. The main compounds identified included 2-propanone, 4,4-ethylenedioxy-1-pentylamine, 1,2-benzenedicarboxylic acid, 1,1-butoxy-1-isobutoxy-butane, and 3,3-ethoxycarbonyl-5-hydroxytetrahydropyran-2-one. Results: The literature indicates the diverse biological and pharmacological applications of these compounds. Different concentrations of the metabolites from Bacillus species were tested for biological activities, revealing significant inhibitory effects on anti-diabetic activity (84.66%), anti-inflammatory activity (99%), antioxidant activity (99.8%), and anti-hemolytic activity (90%). Disc diffusion method testing also demonstrated a noteworthy inhibitory effect against tested strains. Conclusion: In silico screening revealed that 1,2-benzenedicarboxylic acid exhibited anticancer activity and promising drug-designing properties against epithelial glioblastoma cancer genes. The study highlights the potential of Bacillus spp. as a valuable target for drug research, emphasizing the significance of bacterial metabolites in the production of biological antibacterial agents.

Keywords: Bacillus spp.; PCR; bacterial metabolites; biological potential; epithelial glioblastoma cancer.

PubMed Disclaimer

Conflict of interest statement

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

Figures

FIGURE 1
FIGURE 1
Molecular characterization. (A) Bacterial DNA extraction; (B) 16S rRNA amplification of bacillus spp. on gel electrophoresis.
FIGURE 2
FIGURE 2
Chromatograph of the Bacillus.
FIGURE 3
FIGURE 3
Graph for antioxidant activity showing the highest percent free radical scavenging of bacterial metabolites (99.8%) at a concentration of 500 μg/mL.
FIGURE 4
FIGURE 4
Graphical representation of activity showing % inhibition in hemolysis by bacterial metabolites at different concentrations.
FIGURE 5
FIGURE 5
Graphical representation of % inhibition in protein denaturation showing 99% anti-inflammatory activity by bacterial metabolites at 500 μg/mL.
FIGURE 6
FIGURE 6
Graphical representation of anti-diabetic activity showing the % inhibition of α-amylase by bacterial metabolites at different concentrations.
FIGURE 7
FIGURE 7
Anti-bacterial analysis of bacterial metabolites showing the zone of inhibition against cefoxitin antibiotic and bacterial metabolites at various concentrations.
FIGURE 8
FIGURE 8
Graphical representation of % cytotoxicity of the U87-MG cell line and morphology of the U87-MG cell line after 24 h and comparison with the control.
FIGURE 9
FIGURE 9
PPI network of epithelial glioblastoma cancer genes. Each node represents the relevant gene, and the edges represent protein–protein associations.
FIGURE 10
FIGURE 10
Molecular interaction of 1, 2-benzenedicarboxylic acid and MET (−7.9). (A) 2D image of the docked complex; (B) 3D image of the docked complex.
FIGURE 11
FIGURE 11
(A) Chemical structure prediction of 1, 2-benzenedicarboxylic acid; (B) BOILED-Egg representation; (C) radar plot of 1,2-benzenedicarboxylic acid.
FIGURE 12
FIGURE 12
A Venn diagram illustrating the intersection of identified compounds with the following elements: 1,2-benzenedicarboxylic acid (132), 1-butoxy-1-isobutoxy-butane (71), 2-propanone (63), 3-ethoxycarbonyl-5-hydroxytetrahydropyran-2-one (46), and 4,4-ethylenedioxyl-1-pentylamine.
FIGURE 13
FIGURE 13
Shows a simulation of molecular dynamics of the best docked complex. (A) Deformability of the complex; (B) B-factor graph; (C) elastic network (gray matter indicates a stiffer region); (D) covariance map: correlated (red), uncorrelated (white), or anti-correlated (blue) motions; (E) The eigenvalue plot illustrates the minimum energy required to deform the complex; (F) Variance individual variance (purple) and cumulative variance (green).
FIGURE 14
FIGURE 14
Contour diagram of the best hit compound, 1,2-benzenedicarboxylic acid.
See this image and copyright information in PMC

References

    1. Ajilogba C. F., Babalola O. O. (2019). GC–MS analysis of volatile organic compounds from Bambara groundnut rhizobacteria and their antibacterial properties. World J. Microbiol. Biotechnol. 35, 83–19. 10.1007/s11274-019-2660-7 - DOI - PMC - PubMed
    1. Caulier S., Nannan C. `., Gillis A., Licciardi F., Bragard C., Mahillon J. (2019). Overview of the antimicrobial compounds produced by members of the Bacillus subtilis group. Front. Microbiol. 10, 302. 10.3389/fmicb.2019.00302 - DOI - PMC - PubMed
    1. Chaudhari M. G., Joshi B. B., Mistry K. N. (2013). In vitro anti-diabetic and anti-inflammatoryactivity of stem bark of Bauhinia purpurea. Bull. Pharm. Med. Sci. (BOPAMS) 1, 139–150.
    1. El-Amier Y., El‐Halawany E., Soliman H., El Hayyany L. (2023). Primary GC-MS chemical analysis of alcoholic extract of Emex spinosa (L.) Campd. and screening of their antioxidant, antibacterial, and cytotoxic characteristics. Bull. Chem. Soc. Ethiop. 37, 101–114. 10.4314/bcse.v37i1.9 - DOI
    1. Faridha Begum I., Mohankumar R., Jeevan M., Ramani K. (2016). GC–MS analysis of bio-active molecules derived from Paracoccus pantotrophus FMR19 and the antimicrobial activity against bacterial pathogens and MDROs. Indian J. Microbiol. 56, 426–432. 10.1007/s12088-016-0609-1 - DOI - PMC - PubMed