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A Theoretical Study on Inclusion Complexes of Various Noscapines with Different Cyclodextrin |
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PP: 93-97 |
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doi:10.18576/ijnc/020304
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Author(s) |
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Neeraj Chaturvedi,
Ankita Pal,
Anjali Gaur,
Bhaskara Nand,
Prashant Singh,
Amit Mittal,
Kamlesh Kumari,
Anita Yadav,
Ramesh Chandra,
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Abstract |
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| Literature reported the synthesis of inclusion complexes between cyclodextrin and noscapine but it provides partial information due to its limitations in understanding the supramolecular interaction between the noscapine and cyclodextrin. Authors reported the inclusion complexation between the few noscapines and -cyclodextrin and the present work is focussed to study the non-covalent interaction between noscapines and different cyclodextrin (alpha, beta or gamma). Supramolecular interaction between the noscapines (guest) and the various cyclodextrin (host) were studies considering that the isoquinoline ring (partly to completely) is able to included into the host cavity (alpha, beta or gamma) through alcoholic rims. The investigation was mainly emphasized on the most stable conformation of the inclusion complex and predicted to be energy driven process in gaseous phase i.e. negative binding energies. It revealed that the most stable complex is formed when the noscapines were partly included in alpha cyclodextrin through the narrow hydroxyl’s rim. |
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