Registration Number
0226U001622,
(0125U002891)
, R & D reports
Title
Development of scientific principles for the creation of safe anxiolytic, anticonvulsant and analgesic agents for the treatment of post-traumatic stress disorder based on annelated azolo- derivatives of 1,4-benzodiazepine.
popup.stage_title
Розробка методики дизайну анельованих похідних 1,4-бензодіазепіну, та скринінг бібліотек малих молекул.
Head
Stelmakh Serhii I., Доктор філософії
Registration Date
28-01-2026
Organization
Physico-Chemical Institute O. Bogatsky National Academy of Sciences of Ukraine
popup.description1
Development of methods for design, synthesis and biological assessment of annelated azolo- derivatives as safe anxiolytic, anticonvulsant and analgesic agents for treatment of post-traumatic stress disorder.
popup.description2
Object of the research: design and screening methods for annelated azolo- derrivatives of 1,4-benzodiazepine as anxiolytic, anticonvulsant and analgesic agents. Bioactive annelated azolo- derrivatives of 1,4-benzodiazepine.
The main goal of the project: the development of methods of the design, synthesis and biological evaluation of annelated azolo- derrivatives of 1,4-benzodiazepine as safe anxiolytic, anticonvulsant and analgesic agents for the treatment of post-traumatic stress disorder.
On the first stage of the project: the series of annelated triazoloderrivatives of 1,4-benzodiazepine with a variety of substituents at positions 4- and 8- have been chosen based on the analysis of the literature sources. Computational screening of this series was carried out using molecular docking method. The database of affinity values to the benzodiazepine binding site of human GABAA receptor, the 3D poses in the binding site and the data on interactions with amino acid residues in the binding site was created. The analysis of the interactions between ligand molecules and amino acid residues in the binding site was carried out. The series of the most promising compounds (8-bromo 4-phenyl, 4-benzyl, 4-arylidene, derivatives of 1-methyl-6-phenyl-4H-triazolo[4,3-a][1,4]benzodiazepine ) has been chosen for the subsequent research.
The pilot biological screening of anxiolytic, sedative, and hypnotic activity for benzodiazepine derrivatived using gidazepam as the comparison compound.
Product Description
popup.authors
Valivodz Iryna P.
Zlatov Yevhen V.
Stelmakh Serhii I.
popup.nrat_date
2026-01-28
