Organizing co mmittee

IN SILICO PREDICTION OF TRINITRO AND TRIAMINE 
TROPIC ACID DERIVATIVES, THEIR IN VITRO AND IN VIVO 
STUDIES 
 
Garayev Eldar Abdulla, Huseynguliyeva Konul Fada 
 
Azerbaijan Medical University, Department of Pharmaceutical Toxicology and 
Chemistry, Baku 
Recently, topics includes issues such as synthesis of chemical compounds with 
biological activity based on natural compounds, the 
in silico
prediction of compounds 
obtained using computer programs, the 
in vitro
and 
in vivo
study of the corresponding 
biological effects of the obtained predictions.
For this, biologically active semisynthetic derivatives of the natural compound 
alkaloid atropine were synthesized and 
in silico
toxicity prediction was carried out using 
modern programs. 
To achieve this goal, the expectations derived from 
in silico
studies are confirmed by 
in vivo
and 
in vitro
experiments. 
At the initial stage of research, the alkaloid atropine, the main biologically active 
substance of the plant, was obtained from the dried raw materials of 
Datura stramonium
L., growing on the territory of Azerbaijan, by the appropriate method of isolation. First, 
as a result of acid hydrolysis of the alkaloid atropine, tropic acid was synthesized, and 
then trinitro and triamine derivatives of tropic acid were synthesized. The biological 
activity and toxicity of the obtained semisynthetic trinitro and triamine derivatives of 
atropine were studied 
in silico
using the PassOnline program. 
It was found that the fibrinolytic (71%), antihypoxic (64%), antitoxic (56%) effects 
of the trinitro derivative, and antitoxic (68%), fibrinolytic (63%), antihypoxic (58%), 
etc. effects of the triamine derivative is greater than that of atropine. Using this in 
medical practice will show more effective results. 
Trinitro and triamine derivatives of tropic acid, a semi-synthetic derivative of 
atropine alkaloid, have been synthesized and identified by analytical methods, 
in silico
studies have been carried out using computer programs. 
Studies in the direction of studying the results of investigations 
in silico
with 
experiments 
in vivo
and 
in vitro
are continuing.