Identification of antimicrobial bioactive peptides from the camel milk protein lactoferrin: Molecular docking, molecular dynamic simulation, and in vitro study

This study explores the potential of antimicrobial peptides (AMPs) derived from camel milk lactoferrin as novel agents against antibiotic-resistant pathogens. Through in silico screening and molecular dynamics simulations, seven lactoferrin-derived peptides were identified as potential AMPs, with peptides P1 and P33 showing promising inhibitory effects against methicillin-resistant Staphylococcus aureus (MRSA). In vitro assays confirmed the efficacy of P33 against pathogenic strains, notably exhibiting activity against multi-drug-resistant strains. Moreover, the lactoferrin-derived peptide P33 demonstrated relatively low cytotoxicity on human fibroblast cells. These findings suggest that P33 holds significant potential as an antimicrobial agent, particularly against antibiotic-resistant bacteria, warranting further in vivo investigations for efficacy and safety. This study highlights the importance of exploring alternative sources of antimicrobial peptides, such as camel milk lactoferrin, in combating the growing threat of antibiotic resistance.