Nanostructured lipid carriers containing pheophytins derived from Cnidoscolus quercifolius Pohl for photodynamic therapy against breast cancer: isolation, identification, characterization, in vitro activity, and in silico studies.

This study aimed to isolate and identify compounds with photodynamic activity from the ethanolic extract of Cnidoscolus quercifolius leaves, incorporate them into nanostructured lipid carriers (NLCs), evaluate singlet oxygen (1O2) generation and cytotoxicity in MCF-7 cells. In silico studies were conducted to elucidate possible molecular targets and mechanisms of action for the compounds. C. quercifolius leaves extract was obtained by percolation in ethanol and partitioned by column chromatography. The isolated P1 and P2 compounds were identified by 1H and 13C NMR and incorporated NLCs by the solvent emulsification-evaporation method. The generation of 1O2 was carried out using the SOSG reagent. The MTT assay determined the cell viability of MCF-7 cells. Computational studies were performed with cocrystallized ligands. NLCs had a size between 92 and 93 nm and zeta potential values of -8.2 and - 8.9 mV. The SOSG results showed that NLC-P1 had the highest 1O2 generation. MTT assay revealed that NLCs loaded with 3% P1 and P2 reduced cell viability to 37.3% and 45.6%. Computational studies demonstrated that Bcl-2 and Mcl-1 were the main targets involved in the anticancer effects of P1 and P2. These findings point to the potential application of chlorophyll derivatives in photodynamic therapy as an alternative to eliminate cancer while improving patients' quality of life during treatment.