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<p>Here, synthesis and characterization of cyanopyridine derivative have been carried out for intermolecular interactions analysis and its application for insilico anti-inflammtory activity. The intermolecular interactions analysis has been carried out by X-ray crystallography, noncovalent interactions calculation (NCI), Hirshfeld surface analysis and QTAIM calculation. Further, we have also done molecular docking for anti-inflammatory activities.</p> Graphical Abstract <p></p>

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Experimental and Computational Studies of Intermolecular Interactions Analysis of Cyanopyridine Derivative and its Application in Anti-inflammatory Activities

  • 期刊论文

  • 发表日期：

    2025年12月16日

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  • Manima Mishra,
  • Amit Jaiswal,
  • Arun Kumar,
  • Pramod Kumar,
  • Murli Dhar Mitra,
  • Ranjeet Kumar

摘要

Here, synthesis and characterization of cyanopyridine derivative have been carried out for intermolecular interactions analysis and its application for insilico anti-inflammtory activity. The intermolecular interactions analysis has been carried out by X-ray crystallography, noncovalent interactions calculation (NCI), Hirshfeld surface analysis and QTAIM calculation. Further, we have also done molecular docking for anti-inflammatory activities.

Graphical Abstract