Purification, characterization, and in vitro activity of 2,4-Di-tert-butylphenol from Pseudomonas monteilii PsF84: conformational and molecular docking studies. 2014

Seema Dharni, and Sanchita, and Anupam Maurya, and Abdul Samad, and Santosh Kumar Srivastava, and Ashok Sharma, and Dharani Dhar Patra
Agronomy and Soil Science Division, ‡Biotechnology Division, #Chemical Sciences Division, and ⊥Crop Protection Division, CSIR-Central Institute of Medicinal and Aromatic Plants , Lucknow 226015, India.

A novel strain of Pseudomonas monteilii, PsF84, was isolated from tannery waste soil from Jajmau, Kanpur, India. 16S rRNA gene sequence phylogenetic analysis confirmed the taxonomic affiliation of PsF84 as P. monteilii. An antifungal volatile organic compound (VOC) active against hyphal growth of Fusarium oxysporum (CIMAP-IMI-357464) in vitro was isolated from strain PsF84 by using chromatographic techniques. The molecular formula of the antifungal VOC was deduced to be C₁₄H₂₂O by EI-MS and 1D and 2D NMR spectral analysis. 2,4-Di-tert-butylphenol was found to be effective against an agriculturally important fungus, namely, F. oxysporum, in inhibiting spore germination and hyphal growth. Molecular docking analysis of 2,4-di-tert-butylphenol with β-tubulin further validated the potential of β-tubulin binding in F. oxysporum. Two residues of β-tubulin protein, HIS 118 and THR 117, showed hydrogen binding with ligand. To the authors' knowledge, this is the first report of antifungal VOC (2,4-di-tert-butylphenol) produced by P. monteilii PsF84 that can be a potent inhibitor of β-tubulin of F. oxysporum.

UI MeSH Term Description Entries
D007194 India A country in southern Asia, bordering the Arabian Sea and the Bay of Bengal, between Burma and Pakistan. The capitol is New Delhi. Republic of India
D008024 Ligands A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed) Ligand
D008968 Molecular Conformation The characteristic three-dimensional shape of a molecule. Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D010636 Phenols Benzene derivatives that include one or more hydroxyl groups attached to the ring structure.
D011549 Pseudomonas A genus of gram-negative, aerobic, rod-shaped bacteria widely distributed in nature. Some species are pathogenic for humans, animals, and plants. Chryseomonas,Pseudomona,Flavimonas
D005659 Fungicides, Industrial Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. Industrial Fungicides
D005670 Fusarium A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA. Fusariums
D000975 Antioxidants Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. Anti-Oxidant,Antioxidant,Antioxidant Activity,Endogenous Antioxidant,Endogenous Antioxidants,Anti-Oxidant Effect,Anti-Oxidant Effects,Anti-Oxidants,Antioxidant Effect,Antioxidant Effects,Activity, Antioxidant,Anti Oxidant,Anti Oxidant Effect,Anti Oxidant Effects,Anti Oxidants,Antioxidant, Endogenous,Antioxidants, Endogenous
D012988 Soil Microbiology The presence of bacteria, viruses, and fungi in the soil. This term is not restricted to pathogenic organisms. Microbiology, Soil
D013633 Tanning A process of preserving animal hides by chemical treatment (using vegetable tannins, metallic sulfates, and sulfurized phenol compounds, or syntans) to make them immune to bacterial attack, and subsequent treatments with fats and greases to make them pliable. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) Tannings

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