| Visible-Light-Mediated synthesis is a green and efficient technique which garnered interest from organic chemists. In photocatalysis, metallaphotocatalysts and organophotocatalysts use light as an energy source to propel a variety of chemical reactions. Through the use of mechanical pathways like energy transfer and single-electron transfer, photonic energy is transformed into chemical energy. Phthalazines are one of the most prominent nitrogen-containing heterocycles in the field of drug discovery with remarkable biological activities. This study examines green, facile and efficient synthesis of polyfunctionally substituted phthalazine derivatives. A series of phthalazines 3a-k were synthesized involving reaction of pyridazines with arylidenes in absolute ethanol using piperidine as a catalyst via visible-light as an environmentally friendly technique at ambient temperature. The computational study evaluated newly synthesized compounds using molecular docking, ADMET profiling, and molecular dynamics simulations against bacterial and fungal targets. Compound 3f emerged as the most promising candidate, showing superior binding stability, favorable pharmacokinetics, and potential as a scaffold for antifungal drug development. |
