| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385261 | Chemical Physics Letters | 2010 | 7 Pages |
Abstract
⺠A complete mechanistic study of the hydrolysis processes of the sterically hindered novel anticancer drug AMD443, trans-[PtCl2(NH3)(2-picoline)] using DFT. ⺠Hydrolysis processes of AMD443 were explored by DFT method using two different models; one with a number of explicit solvent molecules and without explicit solvent molecules. ⺠The importance of the present work is that the difference in hydrolysis rates between the isomeric drugs AMD443 (trans-) and ZD0473 (cis-) is of clinical importance since such differences have direct effect on anticancer activity and cytotoxicity.
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Authors
Snehasis Banerjee, Partha Sarathi Sengupta, Asok K. Mukherjee,