Fluorescent properties and protein-ligand interactions of boron dipyrromethene molecular rotor

A. Dudko, M. Horetski, N. Frolova, Y. Faletrov, V. Shkumatov
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Abstract

A fluorescent molecular rotor (FMR) based on boron dipyrromethene core was obtained. Fluorescence emission properties of the compound strongly depend on the medium viscosity. The emission intensity increases 27 times after viscosity changing from ethanol to glycerol medium. At the same time, the compound appeared almost insensitive to solvatochromic effects. Obtained FMR also can affinely bind with the bovine serum albumin protein active sites followed by noticeable emission intensity growth. Possible ligand binding cites and main amino acid surrounding were described with molecular docking simulations and are in an agreement with experimental data. The results can be used for further design and synthesis of novel fluorescent viscosity and protein-ligand interactions censors suitable for implementation in biosystems in vitro and in vivo.
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二吡咯甲烷硼分子转子的荧光特性及蛋白质与配体的相互作用
制备了一种基于二吡咯甲烷硼核的荧光分子转子(FMR)。该化合物的荧光发射特性强烈依赖于介质粘度。从乙醇介质变为甘油介质后,发射强度增加27倍。同时,该化合物对溶剂致变色几乎不敏感。所获得的FMR还能与牛血清白蛋白活性位点亲和结合,并伴有明显的发射强度增长。通过分子对接模拟描述了可能的配体结合位点和主要氨基酸周围,与实验数据一致。该结果可用于进一步设计和合成适用于体外和体内生物系统的新型荧光粘度和蛋白质-配体相互作用检测器。
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