Synergistic anti-inflammatory and anti-tb effects of Au-Pt-Cu nanofluids: experimental and computational insights.

IF 3.2 4区医学 Q3 CHEMISTRY, MEDICINAL

Future medicinal chemistry Pub Date : 2025-03-01 Epub Date: 2025-03-21 DOI:10.1080/17568919.2025.2478818

Amit Dubey, Manish Kumar, Amer M Alanazi, Aisha Tufail, Abhay D Bagul

引用次数: 0

Abstract

Aims: To explore the potent anti-inflammatory and anti-tuberculosis potential of novel trimetallic Au-Pt-Cu nanofluids.

Materials & methods: We employed BSA assay for anti-inflammatory assessment and tested anti-tuberculosis activity against Mycobacterium tuberculosis H37Rv. Advanced molecular docking, dynamics, and DFT analyses were conducted to reveal interaction mechanisms and electronic properties.

Results: The nanofluids demonstrated impressive IC₅₀ values (15.88 ± 0.09 μM and 0.54 ± 0.02 μg/ml), with strong binding affinities and stable interactions confirmed via molecular simulations. Favorable ADMET profiling highlights their promise as innovative therapeutic agents.

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目的：探索新型三金属金-铂-铜纳米流体的抗炎和抗结核潜力：我们采用 BSA 试验进行抗炎评估，并测试了针对结核分枝杆菌 H37Rv 的抗结核活性。我们进行了先进的分子对接、动力学和 DFT 分析，以揭示相互作用机制和电子特性：结果：纳米流体表现出令人印象深刻的 IC50 值（15.88 ± 0.09 μM 和 0.54 ± 0.02 μg/ml），分子模拟证实了其强大的结合亲和力和稳定的相互作用。良好的 ADMET 分析凸显了它们作为创新治疗药物的前景。

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

Future medicinal chemistry CHEMISTRY, MEDICINAL-

CiteScore

5.80

自引率

2.40%

发文量

118

审稿时长

4-8 weeks

期刊介绍： Future Medicinal Chemistry offers a forum for the rapid publication of original research and critical reviews of the latest milestones in the field. Strong emphasis is placed on ensuring that the journal stimulates awareness of issues that are anticipated to play an increasingly central role in influencing the future direction of pharmaceutical chemistry. Where relevant, contributions are also actively encouraged on areas as diverse as biotechnology, enzymology, green chemistry, genomics, immunology, materials science, neglected diseases and orphan drugs, pharmacogenomics, proteomics and toxicology.