Computer analysis of the antineoplastic activity of betulin derivatives

The paper provides an overview of the use of various betulin derivatives. There are represented conclusions of in-silico research of betulin, betulinic acid, betulinic diacetate, allobetulinol. There has been used OSIRIS software for in silico analysis PASS, Molinspiration. Obtained results of the study show that after summarizing of all forecasts betulin and betulinic acid are potential compounds for getting more efficient and active products for producing of antitumor pharmaceuticals. Betulin diacetate is proper according to various theoretic terms but has a high probability to be an irritant mediator. Also, this substance shows the worst compliance with Lipinski rule. According to PASS forecast all the investigated compounds have substantial prospect to be used as the basis for producing new highly effective anticancer pharmaceuticals.

EFFECT OF MICROWAVE IRRADIATION ON ARABINOGALACTAN AND ITS INTERACTION WITH BETULIN DIACETATE

Betulin diacetate (BDA) has a variety of biological activities, but poor solubility in water limits its application. The use of arabinogalactan (AG) as a complexing agent is a promising method for solving the problem of solubilization of drugs. In this work, influence of microwave (MW) irradiation on the properties of AG and BDA and their interaction in the aqueous suspension with formation of a water-soluble supramolecular complex was studied. It is shown that the MW heating of AG under hard conditions can lead to degradation of the biopolymer. The use of MW heating allowed significantly reducing the complex preparation time compared to the conventional synthesis in a water bath. The preliminary mechanical treatment of the mixture of components, leading to the formation of mechanocomposites, inhibited the reaction between the components in the aqueous suspension under MW irradiation. The IR spectroscopy method has shown that a supramolecular complex formed under MW irradiation similar to that formed by conventional heating. BDA-AG complex was isolated from a MW heated solution as a thin film, which may be a promising material for pharmaceutical applications.