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Krishna Gavvala, Abhigyan Sengupta and Dr. Partha Hazra Modulation of Photophysics and pKa Shift of the Anti-cancer Drug Camptothecin in the Nanocavities of Supramolecular Hosts ChemPhysChem 14

Version of Record online: 7 FEB 2013 | DOI: 10.1002/cphc.201200879

Thumbnail image of graphical abstract

All inclusive: Cucurbit[7]uril (CB7) assists the pKa shift of an anti-cancer drug, 20(S)-camptothecin (CPT), by forming a 2:1 (CB7CPT) inclusion complex (see picture). However, protonation does not take place when it is encased in a β-cyclodextrin cavity. Docking and semi-empirical quantum calculations offer insight into the molecular orientation of CPT in the inclusion complexes.

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