| Title: | "Purification, characterization, and in vitro activity of 2,4-Di-tert-butylphenol from Pseudomonas monteilii PsF84: conformational and molecular docking studies" |
| Author(s): | Dharni S; Sanchita; Maurya A; Samad A; Srivastava SK; Sharma A; Patra DD; |
| Address: | "Agronomy and Soil Science Division, double daggerBiotechnology Division, #Chemical Sciences Division, and perpendicularCrop Protection Division, CSIR-Central Institute of Medicinal and Aromatic Plants , Lucknow 226015, India" |
| ISSN/ISBN: | 1520-5118 (Electronic) 0021-8561 (Linking) |
| Abstract: | "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 C(1)(4)H(2)(2)O 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 beta-tubulin further validated the potential of beta-tubulin binding in F. oxysporum. Two residues of beta-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 beta-tubulin of F. oxysporum" |
| Keywords: | "Antioxidants/chemistry/isolation & purification/metabolism/*pharmacology Fungicides, Industrial/chemistry/isolation & purification/metabolism/*pharmacology Fusarium/drug effects/growth & development India Ligands Molecular Conformation Molecular Docking S;" |
| Notes: | "MedlineDharni, Seema Sanchita Maurya, Anupam Samad, Abdul Srivastava, Santosh Kumar Sharma, Ashok Patra, Dharani Dhar eng Research Support, Non-U.S. Gov't 2014/06/18 J Agric Food Chem. 2014 Jul 2; 62(26):6138-46. doi: 10.1021/jf5001138. Epub 2014 Jun 23" |
