What priority area of science and technology does it correspond to: fundamental scientific research on the most important problems of developing scientific, technical, socio-economic, socio-political, human potential to ensure the competitiveness of Ukraine in the world and the sustainable development of society and the state
Research: fundamental
Future prospect: to be completed
Research level: no analogues in Ukraine
Patent: 1 patent.
What additional actions does further research require: requires funding to implement the findings.
Brief description, advantages, further prospects for application.
Computer prediction of the biological activity of terpenoid derivatives was carried out using virtual screening for preliminary prediction of analgesic, anti-inflammatory and anticonvulsant activity of terpenoid derivatives using the PASS and QSAR modeling programs. Preparative methods have been developed and targeted synthesis of new TRP, GABA, and glycine receptor ligands with different functional pharmacoform groups has been carried out, which, according to the results of computer prediction, turned out to be the most promising. For new synthesized compounds, analgesic and anti-inflammatory and neurotropic properties were studied in in vivo models.
New theoretical approaches to the development of new combined drugs based on the contribution of molecular descriptors responsible for binding to TRP, GABA, and glycine receptors are proposed. The proposed mechanism for the search and creation of biologically active compounds can be used by both domestic and foreign scientists in the design of new molecules that can simultaneously affect different types of receptors, which avoids the phenomenon of polypharmacy.