Evaluating <em>Sechium </em>spp. Extracts: A Combined<em> In Vitro</em> and <em>In Silico</em> Therapeutic Approach on Leukemia Models

In this work, the activity of extracts from S. edule var. nigrum spinosum, S. compositum, S. chinantlense, and the hybrid H-387-07 was evaluated against in vitro and in silico models related to leukemia. The cytotoxicity of extracts was analyzed by the crystal violet assay, whereas their effect on apoptosis was evaluated through flow cytometry approaches. The effect of treatment on the DNA fragmentation of representative leukemia cell lines was determined by electrophoresis. In silico modeling consisted of assessing the binding affinities between major components from the obtained extracts against CCR2. Results revealed that extracts from Sechium spp. can decrease the viability of J774 and P388 cell lines upon exposure to IC50 0.93-1.38 mg/mL. It was noted that extract from S. edule var. nigrum spinosum exhibited the highest capacity to induce the late apoptosis of J774 cells, whereas treatment with extract from S. chinantlense exerted the highest capability to cause early apoptosis of P388 cells. It was also determined that extracts caused the DNA fragmentation of the cell lines tested in this study after 68 h exposure to treatment. In silico evaluation evidenced that metabolites from extracts poses high affinity for chemokine-type receptors involved in the initiation and progression of leukemia exhibiting binding energies ranging from -7.89 to -9.49 kcal/mol. The retrieved evidence demonstrated the therapeutic capacity of Sechium spp. against leukemia considering in vitro and in silico mechanisms of action.