A novel urea derivative anticonvulsant: In vivo biological evaluation, radioreceptor analysis of GABAA receptors and molecular docking studies of enantiomers; Mendeleev Communications; Vol. 33, iss. 4

A novel urea derivative anticonvulsant: In vivo biological evaluation, radioreceptor analysis of GABAA receptors and molecular docking studies of enantiomers; Mendeleev Communications; Vol. 33, iss. 4

Bibliographic Details
Parent link:Mendeleev Communications.— .— Amsterdam: Elsevier Science Publishing Company Inc.
Vol. 33, iss. 4.— 2023.— P. 546-549
Other Authors: Shushpanova T. V. Tamara Vladimirovna, Bokhan N. A. Nikolay Aleksandrovich, Kuksenok V. Yu. Vera Yurievna, Shtrykova V. V. Viktoriya Viktorovna, Shushpanova O. V. Olga Vladimirovna, Udut V. V. Vladimir Vasiljevich
Summary:It has been experimentally established that the original new generation anticonvulsant Galodif, N-[(3-chlorophenyl)-(phenyl)methyl]urea, allosterically modulates GABAA receptor (GABAAR). Binding of [3H]flunitrazepam and [3H]Ro5-4864 to the benzodiazepine (BZD) site of GABAAR in the brain of Galodif-treated rats showes an increase in receptor affinity in Scatchard Plot for Ligand Receptor binding analysis. The results of molecular docking (Schrödinger program Glide) reveal that the enantiomers of Galodif are complementary to the BZD binding site of GABAAR; binding energy of R-Galodif is lower than that of S-Galodif (scoring GScore being –11.14 and –10.7 kcal mol–1, respectively); R-Galodif interacts with key amino acids at the α1γ2 interface: Tyr159, Tyr209, H101 Phe77 with high model fit – dG of insert: 7.41.
Текстовый файл
AM_Agreement
Language:English
Published: 2023
Subjects:
anticonvulsants
γ-aminobutyric acid
molecular docking
GABAA receptor
enantiomers
электронный ресурс
труды учёных ТПУ
Online Access:https://doi.org/10.1016/j.mencom.2023.06.034
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=685514

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