Structure-function relationships in solvatochromic fluorophores targeting human and bovine carbonic anhydrases

IF 3.8 2区化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Journal of Inorganic Biochemistry Pub Date : 2025-04-25 DOI:10.1016/j.jinorgbio.2025.112934

Alyssa R. Malto , Radhika Mehta , Abigail Hinojosa, Dominique Tan, Alex L. Rerick, M. Haziq Qureshi, Meredith K. Purchal, Emily L. Que

引用次数: 0

Abstract

The development of reversible, selective, small molecule fluorescent probes displaying high fluorescence turn-on responses and tight binding affinity with specific metalloenzymes requires consideration of multiple factors. In this study, we report a library of fluorescent probes for two carbonic anhydrases: human carbonic anhydrase II (hCAII) and bovine carbonic anhydrase II (bCAII) and compare differences in fluorescence turn-on and binding affinity with molecular docking to gain insight into structure-function relationships. We analyze the roles of electrostatics, hydrophobics, and sterics in influencing the fluorescence response of the probes with hCAII and bCAII which have 80 % sequence identity but drastically different fluorescence turn-on values with amino(na)phthalimide-based fluorophores.

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针对人和牛碳酸酐酶的溶剂致变色荧光团的结构-功能关系

开发具有高荧光开启响应和与特定金属酶紧密结合亲和力的可逆、选择性、小分子荧光探针需要考虑多种因素。在这项研究中，我们报告了两种碳酸酐酶的荧光探针库：人类碳酸酐酶II （hCAII）和牛碳酸酐酶II (bCAII)，并通过分子对接比较荧光开启和结合亲和力的差异，以深入了解结构-功能关系。我们分析了静电、疏水和立体效应对hCAII和bCAII探针荧光响应的影响，这两种探针与氨基（na）酞酰亚胺基荧光团具有80%的序列同源性，但荧光开启值却截然不同。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Inorganic Biochemistry 生物-生化与分子生物学

CiteScore

7.00

自引率

10.30%

发文量

336

审稿时长

41 days

期刊介绍： The Journal of Inorganic Biochemistry is an established international forum for research in all aspects of Biological Inorganic Chemistry. Original papers of a high scientific level are published in the form of Articles (full length papers), Short Communications, Focused Reviews and Bioinorganic Methods. Topics include: the chemistry, structure and function of metalloenzymes; the interaction of inorganic ions and molecules with proteins and nucleic acids; the synthesis and properties of coordination complexes of biological interest including both structural and functional model systems; the function of metal- containing systems in the regulation of gene expression; the role of metals in medicine; the application of spectroscopic methods to determine the structure of metallobiomolecules; the preparation and characterization of metal-based biomaterials; and related systems. The emphasis of the Journal is on the structure and mechanism of action of metallobiomolecules.