1. Models of Nanocomplexes Based on C60 Fullerene for Creation of Anticancer and Anti-Inflammatory Agents.
- Author
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Repetsky, S. P., Andrusyshyn, A. V., Kuznetsova, G. M., Melnyk, R. M., and Rybalchenko, V. K.
- Subjects
ANTI-inflammatory agents ,ANTINEOPLASTIC agents ,MOLECULAR orbitals ,INTEGRATED software ,TREATMENT effectiveness - Abstract
Based on the quantum-chemical method of molecular orbitals, implemented in the Gaussian 09w software package, a method of modelling nanocomplexes for creation of antitumour and anti-inflammatory medicines is developed. The object of study is a complex of C
60 fullerene and antitumour agent 1-(4-C1-benzyl)-3-C1-4-(CF3 -phenylamino)-1H-pyrrole-2,5-dione (abbreviated as MI-1). Each detached part, C60 and MI-1, has a therapeutic effect. The main antitumour and anti-inflammatory action relies on MI-1 compound. It is found that the nanocomplex of C60 fullerene with MI-1 is stable at human-body temperature. The nanocomplex is able to serve as a vehicle of medicines to the tumour tissue and dissociate in the tumour due to its low pH (higher acidity) compared to healthy tissue and exhibit therapeutic properties of individual components. [ABSTRACT FROM AUTHOR]- Published
- 2021