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Antifungal activity and molecular docking of phenol, 2,4-bis(1,1-dimethylethyl) produced by plant growth-promoting actinobacterium Kutzneria sp. strain TSII from mangrove sediments. 2021

Thangarasu Suganya Devi, and Karuppiah Vijay, and R M Vidhyavathi, and Ponnuchamy Kumar, and Muthusamy Govarthanan, and Thangavel Kavitha
Department of Microbiology, Science Campus, Alagappa University, Karaikudi, Tamilnadu, India.

The present study reveals the plant growth-promoting (PGP) potentials and characterizes the antifungal metabolites of Kutzneria sp. strain TSII isolated from mangrove sediment soil through in vitro and in silico studies. In this study, Kutzneria sp. strain TSII was screened for PGP activities and the antifungal activities against Pithomyces atro-olivaceous, a leaf spot-associated pathogen in groundnut plants. The ethyl acetate extract of Kutzneria sp. strain TSII was purified using column chromatography, and the presence of various antimicrobial compounds was studied by gas chromatography-mass spectrometry (GC-MS) analysis. In silico modeling and docking were carried out to evaluate the antifungal potent of bioactive compound. Kutzneria sp. strain TSII produced proteases, phosphatases, ammonia, siderophores, cellulases, indole acetic acid (IAA), lipases, and amylases, indicating its ability to enhance the growth of plants. The ethyl acetate extract of Kutzneria sp strain TSII was found to be a potent inhibitor of fungal mycelial growth in the potato dextrose agar (PDA) plates. The GC-MS spectral study showed 24 antimicrobial compounds belonging to five chemical groups: phenolics, phthalates, fatty acid methyl esters (FAME), spiro, and fatty alcohols. In silico docking studies showed that phenol, 2,4-bis(1,1-dimethylethyl)-effectively attaches with the active site of mitochondrial F1F0 Adenosine triphosphate synthase enzymes of Pithomyces atro-olivaceous. Hence, it is clear that these antifungal compounds shall be formulated shortly to treat many plant fungal diseases in an eco-friendly manner.

UI MeSH Term Description Entries
D010636 Phenols Benzene derivatives that include one or more hydroxyl groups attached to the ring structure.
D000935 Antifungal Agents Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. Anti-Fungal Agents,Antifungal Agent,Fungicides, Therapeutic,Antibiotics, Antifungal,Therapeutic Fungicides,Agent, Antifungal,Anti Fungal Agents,Antifungal Antibiotics
D001203 Ascomycota A phylum of fungi which have cross-walls or septa in the mycelium. The perfect state is characterized by the formation of a saclike cell (ascus) containing ascospores. Most pathogenic fungi with a known perfect state belong to this phylum. Ascomycetes,Cochliobolus,Sclerotinia,Ascomycete,Ascomycotas,Sclerotinias
D062105 Molecular Docking Simulation A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein. Molecular Docking,Molecular Docking Simulations,Molecular Docking Analysis,Analysis, Molecular Docking,Docking Analysis, Molecular,Docking Simulation, Molecular,Docking, Molecular,Molecular Docking Analyses,Molecular Dockings,Simulation, Molecular Docking
D019015 Geologic Sediments A mass of organic or inorganic solid fragmented material, or the solid fragment itself, that comes from the weathering of rock and is carried by, suspended in, or dropped by air, water, or ice. It refers also to a mass that is accumulated by any other natural agent and that forms in layers on the earth's surface, such as sand, gravel, silt, mud, fill, or loess. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1689) Marine Oil Snow,Sediments, Geologic,Sediments, Marine,Geologic Sediment,Marine Snow,Sediment, Geologic,Marine Oil Snows,Marine Sediment,Marine Sediments,Oil Snow, Marine,Sediment, Marine,Snow, Marine Oil
D039903 Actinobacteria Class of BACTERIA with diverse morphological properties. Strains of Actinobacteria show greater than 80% 16S rDNA/rRNA sequence similarity among each other and also the presence of certain signature nucleotides. (Stackebrandt E. et al, Int. J. Syst. Bacteriol. (1997) 47:479-491) Actinomycete,Actinomycetes,Gram-Positive Bacteria, High G+C,High G+C Gram-Positive Bacteria

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