Resemblance analysis of molecular systems on the grounds of DFT-evaluated parameters. Platinum complexes and their anticancer activity
✍ Scribed by L. Schulz; H. Chojnacki
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 511 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
The molecular properties characterizing diammine platinum complexes have by way of example been analyzed and selected because of their role in anticancer activity. The research was done with the use of the nonstandard quantitative method to compare molecular properties resulting from density functional theory (DFT). Among different molecular parameters considered, the multipole moment components were found mainly to have clear correspondence to the trans (anticancer neutral) and cis classes of platinum complexes. The results led to the selection and conjecture of the specific significance of some molecular characteristics contrasted with other assemblies of parameters. 0 1996 John Wiley & Sons, Inc.
gation to find factors which could have influence on the cell growth.
It is well known [2-51 that the cis form of diammine platinum complexes is the necessary condition to observe anticancer activity. Hence, if some physico-chemical properties of the two Pt complexes (active and inactive) are similar, then it can be supposed these properties have doubtful relevance to the activity considered. Otherwise, the same properties (under similar conditions)
Formulation of the Problem
he invention of Rosenberg [l] of the filamen-T tous growth of Escherichia coli during electrolysis with platinum electrodes can serve as the example of an unplanned result and as an investi-*To whom correspondence should be addressed.