In Silico and In-vitro assessment of β carotene extracted from Westella botryoides for fighting multidrug resistant bacterial strains

Algae are a sustainable natural resource because of their beta-carotene content. Therefore, this study demonstrates the extraction of the bioactive compound beta-carotene as a protein pigment from the green alga Westella botryoides and its potential use as an antibacterial agent against pathogenic bacterial cells. This study investigates the interactions between beta-carotene and bacterial receptors, including S. mutans-3IHK, E. coli-7P2M, S. aureus-5M1A, and Salmonella typhi-7CI4, using molecular docking simulations. The study explores the binding affinity, energetic dynamics, and molecular interactions between β-carotene and these receptors, revealing insights into its potential antimicrobial activities. In addition, the study evaluates the toxicity of β-carotene, its potential nephrotoxic and respiratory toxicities, and other biological functions. The results show that the green alga W. botryoides has a number of natural medicinal compounds. This was the first time that beta-carotene was extracted from it. The concentration was 0.78 µg/mg in the fresh weight of the alga and 132 mg in the dry weight of the alga. This shows that the protein pigment beta-carotene was present in the alga. This was especially true when Westella botryoides grew under a light intensity of 45 µmol, which is when the sample was taken in the stationary phase. The study also found that the highest killing rate (22, 18, 27, and 28%) for all cells was at the highest β-Carotene concentration (500 µg/mL). The lowest killing rates for the cells of S. mutans, S. mutans, E. coli, and P. aeruginosa in this study were 18%, 14%, 10%, 9%, and 6%, accordingly, when various concentrations of β-C were used: 500, 250, 125, 62.5, and 0 µg/mL. These compounds exhibit favorable interactions of binding with bacterial receptors, especially those of Staphylococcus aureus. They also have a toxicity profile that is fairly safe, which makes them good candidates for more research on antimicrobial and therapeutic uses.