An in-silico and in-vitro approach for the exploration of preliminary anti-cancer potential of p-propoxybenzoic acid through inhibition of protein tyrosine phosphatase 1B enzyme

To explore the anti-cancer activity of p-propoxybenzoic acid (p-PBA) through in-silico and in-vitro studies.

p-PBA was docked against PTP1B and binding affinity was compared with trodusquamine. The anti-cancer potential of p-PBA was measured through cell viability assay by calculating the percentage cell viability in the MCF-7 cell line. To determine the anti-mitotic properties, Allium Cepa roots were dispersed in water and treated with vehicle (10% DMSO), p-PBA (100, 200, and 300 µg/mL), and methotrexate (300 µg/mL). The number and length of roots were observed for 5 days. To determine the cytotoxic activity, brine shrimp eggs were hatched and 10 nauplii were added to petriplates followed by treatment with vehicle (10% DMSO), p-PBA (100, 200 and 300 µg/mL) and methotrexate (300 µg/mL). the number of nauplii and percentage lethality was measured.

Statistical correlation in the docking score of p-PBA and trodusquemine was obtained with a P-value of 0.0011. A significant reduction in percentage cell viability was detected in the MCF-7 cells treated with p-PBA. pPBA treated onions exhibited a significant reduction in the number of roots (P value = 0.0009). A statistically significant reduction was observed in the length of the roots treated with 200 µg/mL pPBA (P-value < 0.05) and 300 µg/mL pPBA (P-value < 0.05). Petriplates treated with p-PBA showed exhibited a significant (P-value < 0.05) difference in the number of nauplii and percentage lethality with a P-value < 0.05.

p-Popoxybenzoic acid exhibited anti-cancer potential at preliminary scale, which can be tested further in experimental animals.