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Information × Registration Number 0222U001426, 0119U002550 , R & D reports Title Molecular docking for express identification of new potential drugs. popup.stage_title Head Tkachenko Volodimir Volodimsrovich, Registration Date 27-01-2022 Organization V.N. Karazin Kharkiv National University popup.description2  The object of the work is the binding of known compounds of natural and synthetic origin to the human cannabinoid receptor CB1, which gives the compound cannabinoid-like activity and makes it a narcotic drug or psychotropic substance. Objective: to develop methods and create freely available software for the rapid identification of new potentially dangerous drugs and psychotropic substances through molecular docking. As a result of the work, binding sites were found and a model of binding of the CB1 receptor to ligand compounds was constructed. The binding model on compounds that are reliably psychoactive and compounds that are not reliably psychoactive has been validated. The affinity of a number of compounds that are potential cannabimimetics to the CB1 receptor has been calculated for a reasonable assessment of their psychoactivity. A method of rapid identification of new potential drugs based on freely available software has been developed. Product Description popup.authors Zakharov Anton Borisovich Kriklya Nika M. Tkachenko Volodymyr V Tokarev Victor V popup.nrat_date 2022-03-09 Close