Synthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studies.

Two new developments of antibacterial agents, a series of benzofuran-triazine based compounds () were designed and synthesized. The derivatives were prepared through conventional chemical reactions and structurally characterized with FT-IR, H and C NMR techniques. The antibacterial activity of the synthesized derivatives was assessed against gram-positive bacterial strains and ) and gram-negative bacterial strains ( and ). Compound , with the MIC value of 125-32 μg/μl against all the examined strains of bacteria, was the most active antibacterial compound. The synthesized derivatives were also studied for docking to the binding sites of receptor which has a key role in drug resistance associated with bacterial infections. The synthesized compounds showed good interaction with the targets through hydrogen bonding and hydrophobic interactions. According to antibacterial and docking studies, compound could be introduced as a candidate for development of antibacterial compounds.