N-Substituted 1H-Pyrimidin-4-One Derivatives Possessing Anxiolytic Activity

Autor:	É. T. Oganesyan, A. F. Bandura, Eleonora Manvelyan, V. S. Sochnev, V. Yu. Sysa, I. P. Kodonidi
Rok vydání:	2017
Předmět:	0301 basic medicine Pharmacology Stereochemistry GABAA receptor medicine.drug_class Chemistry Pharmacology toxicology Heteroatom Mercaptotriazole Anxiolytic 03 medical and health sciences 030104 developmental biology Yield (chemistry) Drug Discovery medicine
Zdroj:	Pharmaceutical Chemistry Journal. 51:361-365
ISSN:	1573-9031 0091-150X
DOI:	10.1007/s11094-017-1615-2
Popis:	The logical framework approach was implemented for designing CNS-active N-substituted 1H-pyrimidin-4-ones. Formation energies of possible ligand—receptor complexes with D2-dopamine and GABAA Receptors were determined from molecular docking calculations. The results allowed the probability of psychotropic activity manifesting in the modeled compounds to be estimated. The most promising compounds were prepared by a modified synthetic procedure. The effect of the heteroatom type in N-heterocyclic 1H-pyrimidin-4-ones on the product yield was studied. Compounds I – IV and VI at a dose of 50 mg/kg exhibited anticonflict activity. The mercaptotriazole derivative of pyrimidin-4-one had the greatest anticonflict activity.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2806dc6a00ea606d33193e3d1fca1a38 https://doi.org/10.1007/s11094-017-1615-2 Zobrazit plný text záznamu Plný text ve formátu PDF