INTERRELATION OF CARCINOGENIC PROPERTIES OF METABOLITES WITH THEIR INFORMATION AND ELECTRONIC DESCRIPTORS

Volume 8, Issue 6, December 2023     |     PP. 1-14      |     PDF (198 K)    |     Pub. Date: January 14, 2018
DOI:    411 Downloads     3810 Views  

Author(s)

VLADIMIR MUKHOMOROV, University of Naples “Federico II” Via Cintia, I-80126, Naples, ITALY

Abstract
The interrelationship between the carcinogenic effects of metabolites and molecular descriptors is modeled. The information function and the average number of valence electrons of molecules are used as molecular descriptors. It is demonstrated that the conversion of non-carcinogenic initial agents to carcinogenic metabolites is accompanied by a systematic increase in molecular descriptors. The factor that limits the carcinogenic activity of chemical compounds is considered.

Keywords
Carcinogen, metabolite, descriptors, oxy compounds, information, valence electrons

Cite this paper
VLADIMIR MUKHOMOROV, INTERRELATION OF CARCINOGENIC PROPERTIES OF METABOLITES WITH THEIR INFORMATION AND ELECTRONIC DESCRIPTORS , SCIREA Journal of Biology. Volume 8, Issue 6, December 2023 | PP. 1-14.

References

[ 1 ] Mukhomorov V.K. Modeling of Chemical Compounds Bioactivity. Relationships of Structure - Bioactivity. Lambert Academic Publisher. Saarbrűcken. Germany. 2012. (in Russian).
[ 2 ] Mukhomorov V.K. Biomedical Statistics and Information. 1, 24 (2016).
[ 3 ] Mukhomorov V.K. International Journal of Chemical and Biomedical Science. 3, 34 (2017).
[ 4 ] Shannon C. A mathematical theory of communication. Bell Techn. Journal. 27, 379 (1948).
[ 5 ] Kolmogorov A.N. Theory of information and theory of algorithms. Nauka. Moscow. 1987. (in Russian).
[ 6 ] Veljkoviĉ V., Laloviĉ D. Experientia. 33, 1228 (1977).
[ 7 ] Carcinogenic substances. Handbook. Ed. Turusov V.S. (IARC Monographs on the Evaluation the Carcinonogenic Risk of Chemicals to Humans). Moscow. 1987.
[ 8 ] Badger G.M. The Chemical Basis of Carcinogenic Activity. Charles C. Thomas – Publisher: Springfield-Illinois-USA. 1962.
[ 9 ] Rubenchik B.L. Biochemistry of Carcinogenesis. Kiev. 1977.
[ 10 ] Rubenchik B.L. Formation of carcinogens from nitrogen compounds. Kiev.1990.
[ 11 ] Leo A., Hansch C., Elkins D. Chem. Reviews. 71, 525 (1971).
[ 12 ] Orris K., Yan Duuren B.L., Nelsen N. Carcinogenic activity of oxy compounds. In: Proceedings of the VIII International of Anti-Cancer Congress. 1963. Vol. 2. Moscow. pp.305-311.
[ 13 ] Mukhomorov V.K. Advances in Biological Chemistry. 1, 1 (2011).
[ 14 ] Hydvedy T.Y., Arky I., Antoni F., Kõteles G. In: Proceedings of the VIII International of Anti-Cancer Congress. 1963. vol.2. pp. 225.
[ 15 ] Vilenchik M.M. Regularities of the Molecular-Genetic effect of Chemical Carcinogens. Moscow. 1977.