PAWAN KUMAR*, PRITI SINGH*, R.K. SINGH**, M. ANSARI**, MOHD. ADIL KHAN**^#

https://www.doi.org/10.59277/RJB.2025.2.03

*Department of Chemistry, ”K.S. Saket” P.G. College, Ayodhya, U.P., India

**Department of Chemistry, M.L.K. P.G. College, Balrampur, U.P., India,

Aryl sulphonamide derivatives were reported to have better affinity towards 5-HT₆ receptor among the several classes of serotonin 5-HT₆receptor ligands. In the present work, the interaction energy parameter has been used in the drug-receptor interaction study for a series of aryl sulphonamide and sulfone based derivatives acting as 5-HT₆ serotonin ligands. Serotonin ligand based drugs were found useful in the treatment of various mental disorders. Recent studies suggested that serotonin interacts with aspartic acid, tyrosine, phenylalanine, asparagine, arginine and proline residues of 5-HT₆ receptor. The interaction energy has been calculated between thirty two derivatives of aryl sulphonamide and these amino acid residues of 5-HT₆ receptor. The calculated values of interaction energy for different amino acids have been used as descriptors for the QSAR (quantitative structure activity relationship) study of this set of aryl sulphonamide compounds. The best QSAR model, for the set of compounds under study, has been obtained by interaction energy with Aspartic acid as first descriptor and interaction energy with proline as second descriptor. This QSAR model has high predictive power and can be used to find the activity of any new derivative of this class of serotonin ligands.

Key words: Drug-receptor interaction, aryl sulphonamide, 5-HT₆ receptor, interaction energye-mail:

Corresponding author’s e-mail: madil.khan207@gmail.com