Computer-Aided Design of Negative Allosteric Modulators of NMDA Receptor

E. V. Radchenko; D. S. Karlov; A. N. Zefirov; V. A. Palyulin; N. S. Zefirov; V. M. Pentkovski

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Computer-Aided Design of Negative Allosteric Modulators of NMDA Receptor

机译：NMDA受体负变构调节剂的计算机辅助设计

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The N-methyl-D-aspartic acid (NMDA) receptor, along with kainic acid and amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors, belongs to the large family of glutamate-gated ion channels involved in many important neurophysiolog-ical processes in the central nervous system associated with fast synaptic excitation transmission, memory formation, etc.. Hyperactivation of NMDA receptor causes a number of pathological conditions, including various neurodegenerative diseases. For this reason, its antagonists and reversible ion channel blockers were shown to be effective neuroprotector agents, in particular, for the treatment of Alzheimer's disease .

机译：N-甲基-D-天冬氨酸（NMDA）受体，与海藻酸和氨基-3-羟基-5-甲基-4-异恶唑丙酸（AMPA）受体一起，属于谷氨酸门控离子通道的大家族在中枢神经系统中许多重要的神经生理过程中，这些过程与突触的快速传递，记忆形成等有关。NMDA受体的过度活化会引起许多病理状况，包括各种神经退行性疾病。由于这个原因，它的拮抗剂和可逆离子通道阻滞剂被证明是有效的神经保护剂，特别是对于阿尔茨海默氏病的治疗。

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《Doklady biochemistry & biophysics》 |2013年第janaafeba期|22-26|共5页
作者
E. V. Radchenko; D. S. Karlov; A. N. Zefirov; V. A. Palyulin; N. S. Zefirov; V. M. Pentkovski;
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Department of Chemistry, Lomonosov Moscow State University,Moscow, 119991 Russia;

Department of Chemistry, Lomonosov Moscow State University,Moscow, 119991 Russia;

Department of Chemistry, Lomonosov Moscow State University,Moscow, 119991 Russia;

Department of Chemistry, Lomonosov Moscow State University,Moscow, 119991 Russia;

Department of Chemistry, Lomonosov Moscow State University,Moscow, 119991 Russia;

Moscow Institute of Physics and Technology, Institutskii per. 9,Dolgoprudnyi, Moscow oblast, 141700 Russia;

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2. Structure-guided design of new indoles as negative allosteric modulators (NAMs) of N-methyl-D-aspartate receptor (NMDAR) containing GluN2B subunit [J] . Buemi Maria Rosa, De Luca Laura, Ferro Stefania, Bioorganic and medicinal chemistry . 2016,第7期

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4. An efficient and rational method for selecting allosteric modulators to GABAA receptors using ligand-directed chemistry [C] . Kei Yamaura, Shigeki Kiyonaka, Seiji Sakamoto 日本化学会春季年会講演予稿集 . 2018

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5. Discovery and Characterization of Selective Negative Allosteric Modulators of Human alpha4beta2 Neuronal Nicotinic Receptors. [D] . Henderson, Brandon J. 2011

机译：发现和表征人类alpha4beta2神经元烟碱受体的选择性负变构调节剂。
6. Computer-Aided Design of Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (mGluR5): Comparative Molecular Field Analysis of Aryl Ether Derivatives [O] . Chelliah Selvam, Ramasamy Thilagavathi, Balasubramanian Narasimhan, -1

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7. Faculty Opinions recommendation of A Negative Allosteric Modulator for α5 Subunit-Containing GABA Receptors Exerts a Rapid and Persistent Antidepressant-Like Action without the Side Effects of the NMDA Receptor Antagonist Ketamine in Mice. [O] . Hanns Möhler 2019

机译：教师观点建议含α5亚基的GABA受体的负变性调节剂施加快速和持续的抗抑郁药物，而没有NMDA受体拮抗剂氯胺酮在小鼠中的副作用。

Computer-Aided Design of Negative Allosteric Modulators of NMDA Receptor

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