Open AccessComputer analysis of the antineoplastic activity of betulin derivatives
Author(s) -
N.L. Shapekova,
R.Z. Safarov
Publication year - 2020
Publication title -
l.n. gumilev atyndaġy euraziâ u̇lttyk̦ universitetìnìn̦ habaršysy. biologiâlyk̦ ġylymdar seriâsy
Language(s) - English
Resource type - Journals
eISSN - 2663-130X
pISSN - 2616-7034
DOI - 10.32523/2616-7034-2020-132-3-57-68
Subject(s) - betulin , betulinic acid , in silico , lipinski's rule of five , chemistry , computational biology , biochemical engineering , combinatorial chemistry , organic chemistry , biochemistry , biology , engineering , genetics , gene
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.