Novel Peptide–Triazole Conjugates: Strategic Synthesis, Antimicrobial Properties, and Molecular Docking Study

The rising incidence of multidrug‐resistant (MDR) bacteria demands the creation of innovative antimicrobial agents characterized by enhanced stability and efficacy. In this study, a series of peptide–heterocycle conjugates was systematically designed and synthesized using solid‐phase peptide synthesis (SPPS), featuring octapeptide‐triazole conjugates modified with a triazole‐based moiety. Non‐proteinogenic amino acids, specifically 2‐aminoisobutyric acid (Aib) and 2‐naphthylalanine (2‐Nal), were used to add structural diversity. SPPS is a relatively easy way to synthesize these compounds, which ensures accuracy in the sequence. The synthesized peptides were subjected to an antimicrobial activity assessment following a molecular docking study. In comparison to the standard drug, compound 7e exhibited promising antibacterial activity against E. coli , with the MIC value of 12 μg/mL, whereas compound 7a showed enhanced activity against P. aeruginosa with the MIC value of 12 μg/mL. Compound 7a exhibited better to moderate antifungal activity against C. albicans , with the MIC values of 25 μg/mL.