Cynthichlorine Extracted from Ascidian from Djibouti: Optimization of Extraction, In Vitro Anticancer Profiling, and In Silico Approach.

This work focuses on the extraction of cynthichlorine from the ascidian , a molecule that has potential promise as an anticancer agent. The main objective was to optimize the extraction conditions and evaluate the cytotoxic activity of cynthichlorine in tumor cell lines. Two extraction methods, maceration and Soxhlet extraction, were compared, with maceration showing a significantly higher yield (2.2 ± 0.2%) compared to Soxhlet extraction (1.0 ± 0.2%). An optimization of the factors influencing the extraction was performed using the Box-Behnken method, showing that the extraction temperature and time have a negative impact on the yield, with the optimal conditions of temperature being below 25 °C and those of extraction time being below 12 h. Cytotoxic activity assessment revealed the marked inhibition of cell growth in all tested lines (U87-MG, U2OS, NCI-N87, HCT116, and A2780), with IC values ranging from 0.162 µg/mL in U87-MG to 0.576 µg/mL in NCI-N87. Finally, computational analysis showed that cynthichlorine exhibits high electronic stability and notable affinity for some biological targets, including NM23-H2, suggesting its potential as a targeted therapy in cancer treatment. These results pave the way for future studies on the therapeutic use of cynthichlorine.