N. S. Temnyakova, D. A. Vasilenko, O. I. Barygin, M. Y. Dron, E. B. Averina, Yu. K. Grishin, V. V. Grigoriev, V. A. Palyulin, M. V. Fedorov, D. S. Karlov, “Ifenprodil-like NMDA receptor modulator based on the biphenyl scaffold”, Mendeleev Commun., 30:3 (2020), 342

Эта публикация цитируется в 2 статьях

Communications

Ifenprodil-like NMDA receptor modulator based on the biphenyl scaffold

N. S. Temnyakova^a, D. A. Vasilenko^a, O. I. Barygin^b, M. Y. Dron^b, E. B. Averina^ac, Yu. K. Grishin^a, V. V. Grigoriev^c, V. A. Palyulin^ac, M. V. Fedorov^d, D. S. Karlov^d

^a Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b I.M. Sechenov Institute of Evolutionary Physiology and Biochemistry, Russian Academy of Sciences, St. Petersburg, Russian Federation
^c Institute of Physiologically Active Compounds, Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, Chernogolovka, Moscow Region, Russian Federation
^d Skolkovo Institute of Science and Technology, Moscow, Russian Federation

Аннотация: Ifenprodil-like NMDA receptor negative allosteric modulator based on the biphenyl scaffold has been identified using virtual screening. Docking approach demonstrated that the modulator maintains some characteristic interactions with protein similar to ifenprodil. Electrophysiological and radioligand investigations demonstrated the concentration-dependent NMDA/Gly-induced currents inhibition with IC₅₀=5μM and significant displacement of [H³]ifenprodil with EC₅₀=30μM, respectively.

Ключевые слова: NMDA receptors, negative allosteric modulator, docking, biphenyl scaffold, electrophysiological investigations.

Язык публикации: английский

DOI: 10.1016/j.mencom.2020.05.027

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