Synthesis, evaluation, and docking study of adamantyl-1,3,4-oxadiazol hybrid compounds as CaMKIIδ kinase inhibitor

IF 1 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Journal of Chemical Research Pub Date : 2024-06-24 DOI:10.1177/17475198241262467
Mohammed M Al-Mahadeen, Areej M Jaber, Raed A Al-Qawasmeh, Mutasem O Taha
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Abstract

This study revealed a new inhibitor of Ca2+/calmodulin-dependent protein kinase II (CaMKII), a crucial factor in cardiovascular disease and hypertension. The study focuses on the bioactivity compounds that combine adamantane/1,3,4-oxadiazole, potentially inhibiting CaMKIIδ. Various adamantyl-1,3,4-oxadiazole derivatives were synthesized and tested for their efficiency against CaMKIIδ kinase, with 6f being the most potent with an IC50 value of 14.4 μM. Docking studies were carried out to determine the binding processes of these chemicals within the kinase’s active region. These discoveries are an important step toward the development of novel treatments for cardiovascular illnesses and hypertension, with the potential for more precise and efficient therapeutic interventions in the future.
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金刚烷基-1,3,4-恶二唑杂环化合物作为 CaMKIIδ 激酶抑制剂的合成、评估和对接研究
这项研究发现了一种新的 Ca2+/calmodulin 依赖性蛋白激酶 II(CaMKII)抑制剂,CaMKII 是心血管疾病和高血压的关键因素。研究的重点是结合金刚烷/1,3,4-恶二唑的生物活性化合物,它们有可能抑制 CaMKIIδ。研究人员合成了多种金刚烷-1,3,4-恶二唑衍生物,并测试了它们对 CaMKIIδ 激酶的作用,其中 6f 的作用最强,IC50 值为 14.4 μM。研究人员进行了对接研究,以确定这些化学物质在激酶活性区的结合过程。这些发现是朝着开发治疗心血管疾病和高血压的新型疗法迈出的重要一步,有望在未来实现更精确、更高效的治疗干预。
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来源期刊
Journal of Chemical Research
Journal of Chemical Research CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
2.30
自引率
0.00%
发文量
66
审稿时长
1.0 months
期刊介绍: The Journal of Chemical Research is a monthly journal which has a broad international authorship and publishes research papers and reviews in all branches of experimental chemistry. Established in 1977 as a joint venture by the British, French and German chemical societies it maintains the high standards set by the founding societies. Each paper is independently peer reviewed and only carefully evaluated contributions are accepted. Recent papers have described new synthetic methods, new heterocyclic compounds, new natural products, and the inorganic chemistry of metal complexes.
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