Synthesis, characterization, and molecular modeling of phenylenediamine-phenylhydrazine-formaldehyde terpolymer (PPHF) as potent inflammatory agent

Inflammation, a characteristic physiological response to infections and tissue damage, commences with processes involving repair pathogen elimination, contributing the restoration of homeostasis at affected sites. Hence, this study presents comprehensive analysis addressing diverse aspects associated phenomenon. The investigation encompasses synthesis, spectral characterizations (FT-IR, 1H NMR, 13C NMR), molecular modeling p-phenylenediamine-phenylhydrazine-formaldehyde terpolymer (PPHF), potent agent in promoting inflammation. To explore reactivity, bonding nature, spectroscopy, as well perform docking for in-silico biological evaluation, density functional theory (DFT) utilizing def2svp/B3LYP-D3BJ method was employed. results reveal significant activity tested compound relation anti-inflammatory proteins, specifically 6JD8, 5TKB, 4CYF. Notably, upon interaction between PPHF binding affinity −4.5 kcal/mol observed. Likewise, 5TKB demonstrated an −7.8 kcal/mol. Furthermore, −8.1 observed Importantly, these values closely correspond those obtained from proteins standard drug ibuprofen (IBF), which exhibited affinities −5.9 kcal/mol, −7.0 −6.1 respectively. Thus, provide compelling evidence affirming tremendous potential (PPHF) highly promising agent, owing presence nitrogen—a heteroatom within compound.