Unveiling Gelation and Antimicrobial Potentials of α-Acyloxy Carboxamides: Findings from Experimental and Theoretical Approach.

IF 3.6 4区 医学 Q2 CHEMISTRY, MEDICINAL ChemMedChem Pub Date : 2025-01-21 DOI:10.1002/cmdc.202400774
Sharol Sebastian, Manjeet Kumar, Feroze Hussain, Sanju Rathore, Yajat Rohila, Meenakshi Goyat, Shaurya Prakash, Antresh Kumar, Priya Bhardwaj, Mulaka Maruthi, Azaj Ansari, Manoj Kumar Gupta
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Abstract

Multicomponent reactions have long been recognized as some of the most versatile tools in organic chemistry, with extensive applications in biomedical science and the pharmaceutical industry. In this study, we explored the potential of the Passerini reaction by designing and synthesizing new low molecular mass gelators that can serve as novel formulations for prolonged anesthesia. These gelators address critical issues like poor solubility, low bioavailability, and short plasma half-life, all of which hinder therapeutic efficacy. To further understand the gelation mechanism, we performed density functional theory (DFT) calculation for confirming the presence of non-covalent interactions during gel formation. Additionally, we evaluated the antimicrobial properties of the synthesized compounds, aiming to counter the rise of infectious diseases. These innovative antimicrobial agents could offer solutions to the growing problem of antibiotic resistance, which renders many existing therapies ineffective. Overall, this study aims to develop advanced formulations and antimicrobial agents through the Passerini reaction, providing new strategies for treating infections, minimizing side effects, and combating antibiotic resistance.

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揭示α-酰基羧胺的凝胶化和抗菌潜力:实验和理论方法的发现。
多组分反应一直被认为是有机化学中最通用的工具之一,在生物医学科学和制药工业中有着广泛的应用。在这项研究中,我们通过设计和合成新的低分子质量凝胶来探索Passerini反应的潜力,这种凝胶可以作为延长麻醉的新配方。这些凝胶解决了溶解性差、生物利用度低、血浆半衰期短等关键问题,所有这些都阻碍了治疗效果。为了进一步了解凝胶机制,我们进行了密度泛函理论(DFT)计算,以确认凝胶形成过程中存在非共价相互作用。此外,我们评估了合成化合物的抗菌性能,旨在对抗传染病的上升。这些创新的抗菌剂可以为日益严重的抗生素耐药性问题提供解决方案,这使得许多现有疗法无效。总的来说,本研究旨在通过Passerini反应开发先进的配方和抗菌药物,为治疗感染、减少副作用和对抗抗生素耐药性提供新的策略。
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
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.
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