shahriar, Amin (2017) The combination of spectroscopic and molecular modeling methods for investigation of folic acid and ascorbic acid effects on tendency of isoxsuprine to human serum albumin. Masters thesis, University of Zabol.
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Abstract
Isoxsuprine hydrochloride (vasodilator drug), folic acid and ascorbic acid are medicines that pregnant women may utilize alone or simultaneously. In the present work, the competitive binding of isoxsuprine hydrochloride with human serum albumin (HSA) in the absence and presence of folic acid and ascorbic acid was investigated using diff erent spectroscopic methods and molecular docking studies. The results of fluorescence suggested that isoxsuprine alone or in the presence of ascorbic acid can bind to HSA and quencher the fluorescence of HSA with static mechanism but for HSA– folic acid–isoxsuprine system, dynamic type of quenching mechanisms is involved. The values of binding constants suggested that affinity of HSA to isoxsuprine increase in the presence of ascorbic acid while the presence of folic acid reduced the affinity of protein to isoxsuprine. The distance between the bound isoxsuprine and protein (r) was determined based on the Forster resonance energy transfer mechanism and showed that isoxsuprine has the shortest distance in HSA–isoxsuprine system. The results of FT-IR and circular dichroism measurements indicated that the binding of isoxsuprine to HSA in the absence and the presence of folic acid and ascorbic acid may induce conformational and microenvironmental changes of protein. Finally, molecular docking for identification of the active site residues, keys interactions involved and to confirm the experimental results was employed.
| Item Type: | Thesis (Masters) |
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| Uncontrolled Keywords: | Human Serum Albumin, Folic acid, Ascorbic acid, Isoxsuprine, molecular docking |
| Subjects: | Q Science > QD Chemistry |
| Depositing User: | admin admin1 admin2 |
| Date Deposited: | 19 Apr 2017 07:22 |
| Last Modified: | 19 Apr 2017 07:22 |
| URI: | http://eprints.uoz.ac.ir/id/eprint/1259 |
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