Acridinone-sulfonamide hybrids: synthesis, photophysical properties, DFT Analysis, insilico ADMET and antiviral docking against adenovirus

A series of acridinone-based sulfonamides was synthesized and characterized using spectroscopic techniques. Computational studies revealed the influence of substituent effects on the electronic properties and stability of the synthesized derivatives, while molecular electrostatic potential analysis identified the most reactive interaction sites. Molecular docking and ADMET assessments highlighted several derivatives with favourable predicted binding and pharmacokinetic characteristics. In addition, these compounds exhibited noteworthy photophysical properties, exhibiting enhanced fluorescence performance. These findings demonstrate the multifunctional potential of acridinone-sulfonamide hybrids and support their further biological investigation.

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Publication Details

Journal
Scientific Reports
Published
2026-09-15
DOI
https://doi.org/10.1038/s41598-026-65282-1
Primary Topic
Enzyme function and inhibition
Type
article
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article

Acridinone-sulfonamide hybrids: synthesis, photophysical properties, DFT Analysis, insilico ADMET and antiviral docking against adenovirus

V. Vijayakumar, Shanmugavel Balamurugan
Scientific Reports
Enzyme function and inhibition
article

Acridinone-sulfonamide hybrids: synthesis, photophysical properties, DFT Analysis, insilico ADMET and antiviral docking against adenovirus

V. Vijayakumar, Shanmugavel Balamurugan
article en

Abstract

A series of acridinone-based sulfonamides was synthesized and characterized using spectroscopic techniques. Computational studies revealed the influence of substituent effects on the electronic properties and stability of the synthesized derivatives, while molecular electrostatic potential analysis identified the most reactive interaction sites. Molecular docking and ADMET assessments highlighted several derivatives with favourable predicted binding and pharmacokinetic characteristics. In addition, these compounds exhibited noteworthy photophysical properties, exhibiting enhanced fluorescence performance. These findings demonstrate the multifunctional potential of acridinone-sulfonamide hybrids and support their further biological investigation.

Scientific Reports
Vellore Institute of Technology University (IN)
Openalex Percentile: Top 18%
Enzyme function and inhibition
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Acridinone-sulfonamide hybrids: synthesis, photophysical properties, DFT Analysis, insilico ADMET and antiviral docking against adenovirus — V. Vijayakumar, Shanmugavel Balamurugan · Scientific Reports (2026) | TGRS Research Map | TGRS