Active site discovery of vinblastine as application of nanotechnology in medicine

Vinblastine is an antimitotic, anticancer nanomedicine that disturbs normal microtubule formation andfavours depolymerisation. Structural study and finding the active site of vinblastine using modeling methods are thetargets of this paper. Vinblastine was optimized in vacuum and then in different solvents by DFT (Density FunctionalTheory) modeling method. Nuclear Magnetic Resonance (NMR) shift measurements were made in different solvents byvarious dielectric constants. The best structure and function of vinblastine was established. The conformationalpreferences may be attributed to stereoelectronic effects. The results showed that the structure of vinblastine is morestabile in water than in the other media. The most active atoms of vinblastine were realized by various spectra ofvinblastine in different media.

Keywords:

Modeling , Nanotechnology , Nanomedicine , Anticancer , Vinblastine