Abstract
Phycocyanin, a pigment-protein found in Spirulina, has been shown to have powerful biological properties. We developed a computational Petra/Osiris/Molinspiration/Density Functional Theory (POM/DFT) model to find physicochemical parameters governing the bioactivity of a series of phycocyanin derivatives including a putative antitumoral-kinase pharmacophore site. The anticancer properties of the synthesized compounds, as well as their interactions at the binding site, were evaluated using a molecular analysis. When phycocyanin molecules were compared to structurally similar compounds, it was discovered that they include anti-Kinase pharmacophore sites (Oδ-, NHδ+). The overall calculated results reveal that phycocyanin and its derivatives have better pharmaceutical activities, and can be used as anticancer agents. According to research, these compounds have the potential to become lead molecules in the drug discovery process, and they may be a good connection between drug development and cancer prevention.
Published Version
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