Synthesis, structural characterization, and biological evaluation of a bioactive strontium (II)–mefenamic acid complex: In-vivo and in-silico insights

IF 3.1 2区化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Journal of Inorganic Biochemistry Pub Date : 2026-04-01 Epub Date: 2025-12-15 DOI:10.1016/j.jinorgbio.2025.113196

Ashraf Komal, Muhammad Azam, Bibi Saman, Riaz Maira, Muhammad Asim Raza Basra

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Abstract

Metal-based coordination complexes of existing drugs, a step towards to natural system, are gaining the attention of scientists due to their boosted pharmaceutical outcomes with minimal side effect on health. The new mononuclear strontium (Sr) complex of mefenamic acid (Mef) and triethylamine (TEA), [Sr(mef)₂(TEA)₂].4H₂O was manufactured and characterized by using Elemental analysis, UV-VIS spectra, FTIR, SEM-EDX,¹H and ¹³C NMR, TGA, and PXRD. Its free radical scavenging and metal chelating potential of the synthesized compound was assessed by five different in vitro antioxidant assays, while in vivo activities evaluated the anti-inflammatory, analgesic and anxiolytic activities. The studied complex contained Sr(II) metal, which is coordinated to two mefenamato ligands through one oxygen atom of each and two TEA through their nitrogen atoms. In the studied complex, Mef acts as monodentate ligand, and TEA serves as auxiliary ligand. The complex exhibited potent antioxidant activities especially lowest IC₅₀ = 5.6 μM for iron-reducing assay, significant anti-inflammatory response (P < 0.001), and strong analgesic effect (P < 0.0001) compared to the free ligand. In-silico ADMET study showed safe drug profiling for Sr-complex than only ligand and biological prediction of biological activities by PASS online webserver further confirmed the better bioactivities ((Pa > Pi) of pharmacological relevance. With further molecular insight, the synthesized complex may serve as promising lead compound for anti-inflammatory drug development.

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合成，结构表征，和生物活性的锶(II) -甲胺酸配合物的生物学评价：体内和在硅的见解

现有药物的金属基配位配合物是向自然系统迈进的一步，因其对健康的副作用最小而提高了药物效果而受到科学家的关注。甲胺酸（Mef）与三乙胺（TEA）的新型单核锶（Sr）配合物[Sr(Mef) 2(TEA)2]。通过元素分析、紫外可见光谱、红外光谱、SEM-EDX、1H和13C NMR、TGA和PXRD对4H2O进行了表征。通过5种不同的体外抗氧化实验评估其自由基清除能力和金属螯合能力，体内活性评估其抗炎、镇痛和抗焦虑活性。所研究的配合物含有Sr（II）金属，通过每个配体的一个氧原子和两个TEA通过它们的氮原子与它们配位。在所研究的配合物中，Mef作为单齿配体，TEA作为辅助配体。与游离配体相比，该配合物具有有效的抗氧化活性，特别是最低IC₅₀= 5.6 μM用于铁还原试验，显着的抗炎反应（P < 0.001）和强镇痛作用（P < 0.0001）。计算机ADMET研究表明，sr -复合物比仅配体安全，通过PASS在线web服务器对生物活性进行生物学预测，进一步证实了sr -复合物具有更好的生物活性(（Pa > Pi）的药理相关性。通过进一步的分子分析，该配合物有望作为抗炎药物开发的先导化合物。

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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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.