Natural Staurosporine Derivatives with Fluorescence for Cancer Theranostics.

IF 3.4 4区医学 Q2 CHEMISTRY, MEDICINAL

ChemMedChem Pub Date : 2025-10-16 DOI:10.1002/cmdc.202500629

Kualiang Li, Wei Liu, Tong Wu, Yongbo Wei, Ying Liu, Jingming Zhou, Li Chen, Jian Zhou, Yusheng Lu, Haipeng Xu, Lijun Xie

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引用次数: 0

Abstract

In recent years, developing effective theranostic agents for precise cancer treatment has been one of the most prevalent strategies. Herein, three staurosporine derivatives, MCY-STS, ECY-STS, and ICY-STS, synthesized through minor modifications of natural staurosporine, are reported. These derivatives not only exhibit attractive fluorescence properties, including solvatochromism and dual-state (solution and solid) emission, but also demonstrate potent protein kinase C inhibitory activity and anticancer effects against NCI-N87, MCF-7, and SK-OV-3 cell lines. Theoretical calculation analyses, including density functional theory calculations, molecular docking, and molecular dynamics simulations, are employed to elucidate their protein-ligand interactions and luminescence mechanisms. Further investigations reveal that ECY-STS significantly inhibits tumor growth while illuminating tumor tissues for therapy visualization. Collectively, these modified fluorescent staurosporine derivatives, particularly ECY-STS, represent promising theranostic agents that provide a novel strategy for cancer imaging and treatment in humans.

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荧光天然Staurosporine衍生物在癌症治疗中的应用。

近年来，开发有效的治疗药物来精确治疗癌症已成为最流行的策略之一。本文报道了三种甾体孢素衍生物MCY-STS、ECY-STS和ICY-STS，它们是通过对天然甾体孢素进行微小修饰合成的。这些衍生物不仅具有吸引人的荧光特性，包括溶剂变色和双态（溶液和固体）发射，而且对NCI-N87、MCF-7和SK-OV-3细胞系具有有效的蛋白激酶C抑制活性和抗癌作用。理论计算分析包括密度泛函理论计算、分子对接、分子动力学模拟等，阐明了它们与配体的相互作用和发光机理。进一步的研究表明，ECY-STS可以显著抑制肿瘤生长，同时照亮肿瘤组织进行治疗可视化。总的来说，这些修饰的荧光stausporine衍生物，特别是ECY-STS，代表了有希望的治疗药物，为人类癌症成像和治疗提供了一种新的策略。

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

ChemMedChem 医学-药学

CiteScore

6.70

自引率

2.90%

发文量

280

审稿时长

1 months

期刊介绍： Quality research. Outstanding publications. With an impact factor of 3.124 (2019), ChemMedChem is a top journal for research at the interface of chemistry, biology and medicine. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemMedChem publishes primary as well as critical secondary and tertiary information from authors across and for the world. Its mission is to integrate the wide and flourishing field of medicinal and pharmaceutical sciences, ranging from drug design and discovery to drug development and delivery, from molecular modeling to combinatorial chemistry, from target validation to lead generation and ADMET studies. ChemMedChem typically covers topics on small molecules, therapeutic macromolecules, peptides, peptidomimetics, and aptamers, protein-drug conjugates, nucleic acid therapies, and beginning 2017, nanomedicine, particularly 1) targeted nanodelivery, 2) theranostic nanoparticles, and 3) nanodrugs. Contents ChemMedChem publishes an attractive mixture of: Full Papers and Communications Reviews and Minireviews Patent Reviews Highlights and Concepts Book and Multimedia Reviews.