Computer analysis of the antineoplastic activity of betulin derivatives

Abstract

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.