Halonal, an original benzoylated phenobarbital derivative anticonvulsant: in vivo evaluation, chemometric and molecular docking studies of enantiomers / Tamara V. Shushpanova, Nikolay A. Bokhan, Galina B. Slepchenko [et al.]

Set Level: Mendeleev Communications, Amsterdam, Elsevier Science Publishing Company Inc.Coauthor: Shushpanova, T. V., Tamara Vladimirovna;Bokhan, N. A., Nikolay Aleksandrovich;Slepchenko, G. B., Chemist, Professor of Tomsk Polytechnic University, Doctor of chemical sciences, 1956-, Galina Borisovna;Markova, E. V., Evgeniya Valerjevna;Shushpanova, O. V., Olga Vladimirovna;Smirnova, I. N., Irina Nikolaevna;Zaytsev, A. A., Aleksey Aleksandrovich;Kolomiets, N. E., Nataljya Eduardovna;Kuksenok, V. Yu., chemist, Senior Lecturer of Tomsk Polytechnic University, Candidate of Chemical Sciences, 1989-, Vera Yurievna;Filimonov, V. D., Russian chemist, Professor of the TPU, 1945-, Viktor DmitrievichLanguage: английский.Country: Netherlands.Abstract: An original phenobarbital anticonvulsant Halonal, 5-ethyl-1-(2-fluorobenzoyl)-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, stimulated the cellular immune and the humoral response in long-term alcoholized male (CBAxC57Bl/6) F1 mice to the level of healthy animals. Voltammetry was found to be suitable for determination of Halonal R/S-enantiomeric ratio, which was exemplified on the authentic sample with the R/S-composition of 40:60. Molecular docking (Schrödinger program, Glide) showed that Halonal behaved as a benzonal derivative interacting with GABAAR via the BARB binding site, with S-Halonal having higher similarity score than its R-enantiomer because of a different orientation of the 2-fluorobenzoyl substituent.Bibliography: References: 25 tit.Subject: электронный ресурс | труды учёных ТПУ Online Resources:https://doi.org/10.1016/j.mencom.2024.10.027
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References: 25 tit

An original phenobarbital anticonvulsant Halonal, 5-ethyl-1-(2-fluorobenzoyl)-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, stimulated the cellular immune and the humoral response in long-term alcoholized male (CBAxC57Bl/6) F1 mice to the level of healthy animals. Voltammetry was found to be suitable for determination of Halonal R/S-enantiomeric ratio, which was exemplified on the authentic sample with the R/S-composition of 40:60. Molecular docking (Schrödinger program, Glide) showed that Halonal behaved as a benzonal derivative interacting with GABAAR via the BARB binding site, with S-Halonal having higher similarity score than its R-enantiomer because of a different orientation of the 2-fluorobenzoyl substituent

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