Molecular docking of novel donor-π-acceptor DCDHF-based fluorescent chromophores.

A series of donor-π-acceptor dicyanomethylenedihydrofuran (DCDHF)-based chromophores comprising different π-arylbridges and different terminal groups were synthesized and characterized. The chromophores were synthesized via Knoevenagel condensation of the active methyl-bearing DCDHF (electron acceptor) with tertiary amine-containing arylaldehyde (electron donor) in dry pyridine at room temperature in the presence of a few drops of acetic acid. The synthesis approach involved the development of phenyl (thienyl)vinyl-bridged dicyanomethylenedihydrofuran dyes with a tertiary amine terminal group. Both absorption and emission spectra were explored. The strong emission properties detected by the synthesized chromophores could be attributed to intramolecular charge transfer (ICT). The chemical structures of the synthesized chromophores were verified by 1 H/ 13 C NMR and FTIR spectroscopy. Both of tertiary amine-containing and arylaldehyde were found to influence the biological properties of the synthesized chromophores. While, the synthesized (DCDHF)-based hybrids were tested to examine antibacterial effectiveness. Derivatives 1 and 2 labeled sensible activity toward (+ve) Gram bacteria rather than (-ve) Gram bacteria comparative to amoxicillin antibiotic reference. Finally, molecular docking inspiration was realistic to discover their binding relations against (PDB code: 1LNZ).