Inhibition of Aspergillus VosA protein by lactic acid bacteria metabolites (in silico study)

  • Nora Laref Ahmed Zabana University, Relizane, Algeria
  • R. Premkumar PG and Research Department of Physics, N.M.S.S.V.N. College, Madurai – 625019, Tamil Nadu, India
  • Sameer Quazi GenLab Biosolutions Private Limited, Bangalore, Karnataka, India
Keywords: In silico, Docking, Antifungal, Fungi, Lactic acid bacteria


In this work, we performed an in silico study using 3D structure protein of VosA, and analyzed the protein interaction via molecular docking using PyRx to test the inhibition efficacy of 15 metabolites compounds produced by lactic acid bacteria in conidia germination protein of Aspergillus. The antifungal docking findings revealed that these compounds showed good interactions and binding affinity against the target involved in conidia germination. The highest binding energy (-6.3 kcal/mol) was given by stearic acid. This interaction is due to the residue amines Ser and Phe. Palmitic acid also showed a good binding affinity with -6 kcal/mol. Lactic acid has not the same efficiency as palmitic, and stearic acid, which represented a value of -3.6 kcal/mol, the values recorded by cytidine was from -5 kcal/mol, which was also important compared to oxalic and acetic acid.



Download data is not yet available.


1. Sinha P, Sharma RP, Roy MK. Management of storage rot in onion through gamma irradiation and chemicals. J Food Sci Tech. 1994; 31: 341-343.
2. Hasan HAH. Alternaria mycotoxins in black rot lesion of tomato fruit: Conditions and regulation of their production. Mycopathologia. 1995; 130: 171-177.
3. Moss RB. Allergic bronchopulmonary aspergillosis. Clin Rev Aller Immunol. 2002; 23: 87-104.
4. Klich MA. Health effects of Aspergillus in food and air. Toxicol Indust Health. 2009; 25: 657-667.
5. Salas ML, Mounier J, Valence F, Coton M, Thierry A, Coton E. Antifungal microbial agents for food biopreservation - a review. Microorg. 2017; 5: 37.
6. Leroy F, De Vuyst L. Lactic acid bacteria as functional starter cultures for the food fermentation industry. Trends Food Sci Tech. 2004; 15(2): 67-78.
7. Halperin I, Ma B, Wolfson H, Nussinov R. Principles of docking: An overview of search algorithms and a guide to scoring functions. Proteins. 2002; 47(4): 409-443.
8. McConkey BJ, Sobolev V, Edelman M. The performance of current methods in ligand-protein docking, Curr Sci. 2002; 83: 845-855.
9. Magnusson J, Ström K, Roos S, Sjogren J, Schnürer J. Broad and complex antifungal activity among environmental isolates of lactic acid bacteria. FEMS Microbiol Lett. 2003; 219: 129-135.
10. Noda F, Hayashi K, Takeji M. Antagonism Between Osmophilic Lactic Acid Bacteria and Yeasts in Brine Fermentation of Soy Sauce. Appl Environ Microbiol. 1980; 40: 452-457.
11. Cabo ML, Braber AF, Koenraad PMFJ. Apparent antifungal activity of several lactic acid bacteria against Penicillium discolor is due to acetic acid in the medium. J Food Protect. 2002; 65(8): 1309-1316.
12. Arendt EK, Dal Bello F, Ryan LAM. Increasing the shelf-life of bakery and patisserie products by using the antifungal Lactobacillus amylovorus DSM 19280. Euro Patent Applic. 2009; EP 2009/056229.
13. Garofalo C, Zannini E, Aquilanti L, Silvestri G, Picariello OFG, Clementi F. Selection of Sourdough Lactobacilli with Antifungal Activity for Use as Biopreservatives in Bakery Products. J Agric Food Chem. 2012; 60: 7719-7728.
14. Dobrogosz WG, Lindgren SE. Method of determining the presence of an antibiotic produced by Lactobacillus reuteri. US Patent Applic. 1994; US5352586A.
15. Blagojev N, Škrinjar M, Veskoviæmoračanin S, Šošo V. Control of mould growth and mycotoxin production by lactic acid bacteria metabolites. Roman Biotechnol Lett. 2012; 17: 7219-7226.
16. Sangmanee P, Hongpattarakere T. Inhibitory of multiple antifungal components produced by Lactobacillus plantarum K35 on growth, aflatoxin production and ultrastructure alterations of Aspergillus flavus and Aspergillus parasiticus. Food Control. 2014; 40: 224-233.
17. Shehata MG, Badr AN, El Sohaimy SA, Asker D, Awad TS. Characterization of antifungal metabolites produced by novel lactic acid bacterium and their potential application as food biopreservatives. Ann Agric Sci. 2019; 64(1): 71-78.
18. Corsetti A, Gobbetti M, Rossi J, Damiani P. Antimould activity of sourdough lactic acid bacteria: identification of a mixture of organic acids produced by Lactobacillus sanfrancisco CB1. Appl Microbiol Biotechnol. 1998; 50: 253-256.
19. Black BA,, Zannini E, Curtis JM, Gänzle MG. Antifungal hydroxy-fatty acids produced during sourdough fermentation: microbial and enzymatic pathways, and antifungal activity in bread. Appl Environ Microbiol. 2013; 79: 2899-2905.
20. Mandal V, Kumar Sen S, Mandal NC. Production and partial characterization of an inducer dependent novel antifungal compound(s) by Pediococcus acidilactici LAB 5. J Sci Food Agric. 2013; 93: 2445-2453.
21. Ahmad Rather I, Seo BJ, Kumar VJR, Choi UH, Choi KH, Lim JH, Park YH. Isolation and Characterization of a Proteinaceous Antifungal Compound from Lactobacillus plantarum YML007 and Its Application as a Food Preservative. Lett Appl Microbiol. 2013; 57: 69-76.
How to Cite
Laref, N.; Premkumar, R.; Quazi, S. Inhibition of Aspergillus VosA Protein by Lactic Acid Bacteria Metabolites (in Silico Study). European Journal of Biological Research 2021, 11, 524-535.
Research Articles