New Chalcone Derivatives with Schiff Base-Thiophene: Synthesis, Biological Activity, and Molecular Docking Studies

Abstract

New thiophene chalcones 3, 6 and thiophene Schiff base-chalcone derivatives 4a–4d, 7a–7d are synthesized. Structures of the compounds are confirmed by ¹H and ¹³C NMR, and IR spectra. According to antimicrobial and antileishmanial tests, the compounds 4c–7c demonstrate efficient antileishmanial and antimicrobial activities. Molecular docking studies based on Maestro Molecular Modeling indicate 4c and 7c to be the most potent compounds that are characterized by the least docking score,–10.674 and–10.989 kcal/mol, respectively.