苯并噻唑是切入点抗癌药物的理想支架:探索药物设计、结构-活性关系和对接研究

IF 6 2区 医学 Q1 CHEMISTRY, MEDICINAL European Journal of Medicinal Chemistry Pub Date : 2024-09-05 DOI:10.1016/j.ejmech.2024.116831
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引用次数: 0

摘要

癌症是 21 世纪的一大社会、公共卫生和经济负担,2022 年将有 970 万人死于癌症(2020 年为 996 万人),新增癌症病例 2000 万例(2020 年为 1960 万例)。考虑到癌症病例和死亡人数的不断增加,杂环化合物始终是开发潜在抗癌药物的金矿,因为这些化合物具有独特的灵活性和动态核心。苯并噻唑及其衍生物具有潜在的抗癌特性,使其成为不同杂环化合物中理想的支架。标题结构是一类可与各种受体(尤其是参与致癌过程的受体)高亲和力结合的化学物质。利用这些化合物,药物化学家可以在较长的时间内迅速生产出针对多种靶点的抗癌治疗药物。本研究全面介绍了苯并噻唑衍生物作为抗癌剂的成功案例。它讨论了癌症的现状、苯并噻唑类衍生物合成途径的概况及其作为抗癌剂对几种致癌途径的相关性。此外,还增加了结构-活性关系的内容,以便深入探讨生物数据与结构之间的联系以及如何合理设计更具活性的药物。
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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Benzothiazole a privileged scaffold for Cutting-Edges anticancer agents: Exploring drug design, structure-activity relationship, and docking studies

Cancer is a major societal, public health, and economic burden in the 21st century, with 9.7 million deaths in 2022 (9.96 million in 2020) and 20 million new cancer cases (19.6 million in 2020). Considering the increasing number of cancer cases and deaths, heterocyclic compounds always paved the gold mine for the development of potential anticancer drugs as these compounds have unique flexibility and dynamic cores. Benzothiazoles and their derivatives have potential anticancer properties, making them a desirable scaffold among different heterocycles. Title structures are a class of chemicals that may bind to various receptors with high affinity, particularly those engaged in oncogenic processes. The use of these compounds allows medicinal chemists to rapidly produce anticancer treatments across a large range of targets over an extended length of time. The current study presents a thorough success story of benzothiazole derivatives as anticancer agents. It discusses the current state of cancer, the profile of benzothiazole-based derivatives synthetic pathways, and its relevance as an anticancer agent on several oncogenic pathways. The structure-activity relationship was also added to offer insight into the connection of biological data with structure and the rational design of more active drugs.

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来源期刊
CiteScore
11.70
自引率
9.00%
发文量
863
审稿时长
29 days
期刊介绍: The European Journal of Medicinal Chemistry is a global journal that publishes studies on all aspects of medicinal chemistry. It provides a medium for publication of original papers and also welcomes critical review papers. A typical paper would report on the organic synthesis, characterization and pharmacological evaluation of compounds. Other topics of interest are drug design, QSAR, molecular modeling, drug-receptor interactions, molecular aspects of drug metabolism, prodrug synthesis and drug targeting. The journal expects manuscripts to present the rational for a study, provide insight into the design of compounds or understanding of mechanism, or clarify the targets.
期刊最新文献
Discovery of 1(2H)-phthalazinone and 1(2H)-isoquinolinone derivatives as potent hematopoietic progenitor kinase 1 (HPK1) inhibitors Design, synthesis, and molecular dynamic simulations of some novel benzo[d]thiazoles with anti-virulence activity against Pseudomonas aeruginosa Novel mechanistic insights – A brand new Era for anti-HBV drugs Editorial Board Contents continued
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