Synthesis of Functionalized -(4-Bromophenyl)furan-2-carboxamides via Suzuki-Miyaura Cross-Coupling: Anti-Bacterial Activities against Clinically Isolated Drug Resistant , , and MRSA and Its Validation via a Computational Approach.

-(4-bromophenyl)furan-2-carboxamide () was synthesized by the reaction furan-2-carbonyl chloride () and 4-bromoaniline () in the presence of EtN in excellent yields of 94%. The carboxamide () was arylated by employing triphenylphosphine palladium as a catalyst and KPO as a base to afford -(4-bromophenyl)furan-2-carboxamide analogues () in moderate to good yields (43-83%). Furthermore, we investigated the in vitro anti-bacterial activities of the respective compounds against clinically isolated drug-resistant bacteria , , and . The molecule () was found to be the most effective activity against these bacteria, particularly NDM-positive bacteria as compared to various commercially available drugs. Docking studies and MD simulations further validated it, expressing the active site and molecular interaction stability.