In-silico analysis of natural compounds for combating colistinresistant bacteria

Resumen

Bacterial resistance is a global issue causing medical complications and increased mortality. The mcr-1 gene, which confers resistance to colistin, is a key factor in the spread of this resistance. To combat multidrug-resistant microorganisms, new approaches like phytotherapy, utilizing medicinal plants like Aloe vera and Origanum vulgare, are needed. Computational simulations can expedite research, but experimental studies are crucial for ensuring predictive results. Our study analyzed the in-silico effectiveness of Aloe emodin and carvacrol compounds against MCR-1 protein responsible for colistin-resistant in bacteria. Results showed high binding affinities with the protein, making them excellent phototherapeutics to be used against infections caused by colistinresistant bacterial pathogens. Further research is needed to further understand these results.