Open AccessStatistical Modeling of Antiemetic Activity of Chemical Compounds
Author(s) -
V. K. Mukhomorov
Publication year - 2021
Publication title -
wseas transactions on biology and biomedicine
Language(s) - English
Resource type - Journals
eISSN - 2224-2902
pISSN - 1109-9518
DOI - 10.37394/23208.2021.18.10
Subject(s) - antiemetic , molecule , pseudopotential , chemistry , mechanism of action , computational chemistry , function (biology) , pharmacology , stereochemistry , organic chemistry , in vitro , medicine , physics , anesthesia , biochemistry , biology , vomiting , condensed matter physics , evolutionary biology
A model has been built linking the molecular structure of drugs with their antiemetic activity. It is shown that the bioactivity of drugs depends on the pseudopotential of the molecule, the information function of the molecule, and the geometric size of the substituents. The critical conditions for the emergence of effective antiemetic activity of molecules have been established. The optimal sizes of the substituents were determined, which correspond to the maximum bioactivity of the drugs. The mechanism of the threshold action of substituted benzamides was revealed.