Yanvarev D V, Korovina A N, Usanov N N, Khomich O A, Vepsäläinen J, Puljula E, Kukhanova M K, Kochetkov S N
Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Vavilova st.-32, Moscow, Russia.
School of Pharmacy, Biocenter Kuopio, University of Eastern Finland, Kuopio, Finland.
Data Brief. 2016 Jul 26;8:1157-67. doi: 10.1016/j.dib.2016.07.039. eCollection 2016 Sep.
Inorganic pyrophosphate (PPi) mimetics designed on a basis of methylenediphosphonic acid backbone are promising inhibitors of two key HIV replication enzymes, IN [1] and RT [2]. Herein, we present chemical synthesis of eleven methylenebisphosphonates (BPs) with their NMR and HRMS analysis synthesized via five different ways. Also, we present data on inhibition of HIV RT catalyzed phosphorolysis and polymerization by synthesized BPs using two methods based on denaturing urea PAGE. Tests were also performed for thymidine analogue mutations reverse transcriptase (TAM RT), which was expressed and purified for that. Structure-activity relationships and inhibitory activity data of synthesized BPs are presented in "Methylene bisphosphonates as the inhibitors of HIV RT phosphorolytic activity" [2].
基于亚甲基二膦酸骨架设计的无机焦磷酸（PPi）模拟物是两种关键HIV复制酶整合酶（IN）[1]和逆转录酶（RT）[2]的有前景的抑制剂。在此，我们展示了通过五种不同方法合成的十一种亚甲基双膦酸盐（BPs）的化学合成及其NMR和HRMS分析。此外，我们展示了使用基于变性尿素PAGE的两种方法，合成的BPs对HIV RT催化的磷酸解和聚合的抑制数据。还对为此进行表达和纯化的胸苷类似物突变逆转录酶（TAM RT）进行了测试。合成的BPs的构效关系和抑制活性数据在《亚甲基双膦酸盐作为HIV RT磷酸解活性的抑制剂》[2]中呈现。
