Synthesis of Novel Azo dye-based 1,2,4-triazine derivatives, their spectral, fabric and anti-bacterial Applications: An integration of Solvatochroism, Photochroism, Colorfastness, TD-DFT and molecular docking analysis

Abstract

In current research, a series of five novel azo dyes (1c-5c) were synthesized from azodiene (1a-5a) and azodienophile (1b-5b) by Diels Alder reaction. These 1,2,4-triazine derivatives (1c-5c) were synthesized through grindstone synthesis and characterized through 13C-NMR and 1H-NMR. Further, these were evaluated for their dye potential by textile application using ISO-certified method. Colorfastness properties of these dyes were checked by ISO standard methods on Polyester fabric. These were screened via in vitro antibactericidal activities against Gram-negative and Gram-positive bacteria at 50, 100, 150, 200 and 250 mg/ml concentrations using Cephalosporin as standard drug. These synthesized dyes/compounds revealed good results against E. coli and Staphylococcus aureus strains. Moreover, molecular docking of these dyes was done by Molegro virtual Docker with very good MolDock score. Solvatochromism of these dyes was checked by λmax values and photochroism was also checked by applying the sunlight on these solvent solutions. These values were compared with experimental and TD-SCF DFT values with almost same results.

---