Synthesis, characterization, docking and antimicrobial studies of binol based amide linked symmetrical bistriazoles

Abstract

The antimicrobial resistance and excessive use of modern drugs has hampered the treatment of infectious disease. Therefore, the development of new antibiotics with very good efficacy and lesser side effects is the focused area of medicinal chemists. In the present work, the design and copper (I) catalyzed click synthesis of some amide linked binol based 1,4-disubstituted 1,2,3-bistriazole hybrids from bisalkyne precursor is reported along with characterization of the newly synthesized bistriazoles with the support of IR, NMR and HRMS spectral techniques. The in vitro antimicrobial screening of these bistriazoles against selected bacterial (S. aureus, B. subtilis, and E. coli) and fungal (A. niger and C. albicans) strains signifies the importance of amide and triazole moiety in the final derivatives. The in silico docking studies further supports the antimicrobial results through various binding interactions with binding energies of compound 6f (1KZN: 9.7 kcal/mol) and 6h (4WMZ: 13,3 kcal/mol).