Savithri, K. and Vasantha Kumar, B. C. and Revanasiddappa, H. D. and Vivek, H. K. and Kaur, Manpreet and Jasinski, Jerry P. (2017) 2-((E)-(6-fluorobenzodthiazol-2-ylimino) methyl)-4-chlorophenol; synthesis, characterization, crystal structure, Hirshfeld surface analysis and BSA binding studies. Journal of Molecular Structure, 1142. 293 - 303. ISSN 0022-2860
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A new imine-based molecule 2-((E)-(6-fluorobenzodthiazol-2-ylimino) methyl)-4-chlorophenol (FBt) was synthesized by microwave and conventional method. It was structurally characterized by spectral techniques (NMR, FT-IR, LC-MS and electronic absorption), elemental analysis and single-crystal X-ray diffraction methods. Hirshfeld surface analysis was employed to ensure the existence of intermolecular interactions in FBt structure. A preliminary in vitro susceptibility test against two pathogenic fungi with respect to standard has shown that the ligand is proved to be a potent antifungal agent. Since the carrying of a drug by BSA may effect on its structure and action, the investigation on the interaction between model protein BSA and FBt was carried out by employing UV–Vis and fluorescence spectroscopy. The characteristics of the binding, i.e., binding constant, number of binding sites, and nature of binding were determined. Besides, the Förster's parameters associated with the binding process were calculated. Molecular docking was also carried on interaction study of the FBt with BSA.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Imine base, X-ray crystal structure, BSA binding, Molecular docking, Hirshfeld surface analysis, Antifungal assay |
| Subjects: | C Chemical Science > Chemistry |
| Divisions: | Department of > Chemistry |
| Depositing User: | C Swapna Library Assistant |
| Date Deposited: | 21 Jun 2019 05:35 |
| Last Modified: | 28 Jun 2019 05:31 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/3577 |
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