立体异构型亲脂性核苷对人酪氨酸-DNA 磷酸二酯酶 1（Tdp1）抑制的体外和计算研究：糖立体化学在配体-酶相互作用中的作用。
In Vitro and In Silico Studies of Human Tyrosyl-DNA Phosphodiesterase 1 (Tdp1) Inhibition by Stereoisomeric Forms of Lipophilic Nucleosides: The Role of Carbohydrate Stereochemistry in Ligand-Enzyme Interactions.
机构信息
Institute of Chemical Biology and Fundamental Medicine, Siberian Branch of the Russian Academy of Sciences, Lavrentiev Ave. 8, 630090 Novosibirsk, Russia.
Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Vavilova Str. 32, 119991 Moscow, Russia.
出版信息
Molecules. 2022 Apr 9;27(8):2433. doi: 10.3390/molecules27082433.
Inhibition of human DNA repair enzyme tyrosyl-DNA phosphodiesterase 1 (Tdp1) by different chiral lipophilic nucleoside derivatives was studied. New Tdp1 inhibitors were found in the series of the studied compounds with IC = 2.7-6.7 μM. It was shown that D-lipophilic nucleoside derivatives manifested higher inhibition activity than their L-analogs, and configuration of the carbohydrate moiety can influence the mechanism of Tdp1 inhibition.
研究了不同手性亲脂核苷衍生物对人源 DNA 修复酶酪氨酸-DNA 磷酸二酯酶 1（Tdp1）的抑制作用。在所研究的化合物系列中发现了新的 Tdp1 抑制剂，其 IC = 2.7-6.7 μM。结果表明，D-亲脂性核苷衍生物比其 L-类似物表现出更高的抑制活性，并且糖部分的构型可以影响 Tdp1 抑制的机制。
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