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http://nopr.niscpr.res.in/handle/123456789/15201| Title: | Theoretical study of inclusion complexation of tricylic antidepressant drugs with β-cyclodextrin |
| Authors: | Jenita, M Jude Prabhu, A Antony Muthu Rajendiran, N |
| Keywords: | Theoretical chemistry;Cyclodextrin;Tricyclic antidepressant drugs;Inclusion complex;Molecular recognition |
| Issue Date: | Dec-2012 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The inclusion process of four tricyclic antidepressant drugs (carbamazepine, imipramine, dothiepin and doxepin) with β-cyclodextrin (β-CD), as well as their possible interaction types have been investigated theoretically. The data suggest that these drugs are partially encapsulated into the β-CD cavity. The formation of the inclusion complex is predicted to be an enthalpy-driven process in gas phase. Different interactions between these drugs and β-CD should be also possible due to their negative binding energy though their distributions differ greatly. Comparative study of the interactions of these drugs with β-CD has been investigated and their obvious differences in binding energy and enthalpy change suggest that the β-CD can identify the stability of the complex. |
| Page(s): | 1686-1694 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.51A(12) [December 2012] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 51A(12) 1686-1694.pdf | 248.24 kB | Adobe PDF | View/Open |
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