Molecular simulation of hydroxypropyl-beta-cyclodextrin with hydrophobic selective Cox-II chemopreventive agent using host-guest phenomena.

The present investigation outlays the host-guest penetration of hydrophobic selective Cox-II chemopreventive agent, celecoxib (CXB), with hydroxypropyl-beta-cyclodextrin (HP-beta-CD) using inclusion complexation phenomena. Phase solubility studies conducted at 37 degrees C and 25 degrees C revealed typical A(L)-type curve for the HP-beta-CD indicating the formation of soluble complexes. The inclusion complexes in the molar ratio of 1:1 and 2:1 (CXB-HP-beta-CD) were prepared by kneading technique. The formation of inclusion complexes and the molecular simulation of CXB protons with HP-beta-CD cavity in all samples were testified by 1H-NMR, DSC, powder-XRD, SEM and FTIR and UV/visible spectroscopy. The results of these studies indicated that complex (prepared by kneading method) in molar ratio of 1:1 exhibited better improvement in in vitro dissolution profiles as compared to 1:2 complex. Mean in vitro dissolution time indicated significant difference in the release profiles of CXB from complexes and physical mixtures as compared to pure CXB.