Anti-cancer, Anti-collagenase and Anti-elastase Potentials of Some Natural Derivatives: In vitro and in silico Studies

The anti-cancer activities of the compounds were evaluated against KYSE-150, KYSE-30, and KYSE-270 cell lines and also on investigated esophageal line HET 1 A as a standard. Modified inhibitory impact on enzymes of collagenase and elastase were used Thring and Moon methods, respectively. Among both compounds, both of them recorded impact on cancer cells being neutral against the control, both had IC50 lower than 100 mu M and acted as a potential anticancer drug. The chemical activities of Skullcapflavone I and Skullcapflavone II against elastase and collagenase were investigated utilizing the molecular modeling study. IC50 values of Skullcapflavone I and Skullcapflavone II on collagenase enzyme were obtained 106.74 and 92.04 mu M and for elastase enzyme were 186.70 and 123.52 mu M, respectively. Anticancer effects of these compounds on KYSE 150, KYSE 30, and KYSE 270 esophageal cancer cell lines studied in this work. For Skullcapflavone I, IC50 values for these cell lines were obtained 14.25, 19.03, 25.10 mu M, respectively. Also, for Skullcapflavone II were recorded 20.42, 34.17, 22.40 mu M, respectively. The chemical activities of Skullcapflavone I and Skullcapflavone II against some of the expressed surface receptor proteins (CD44, EGFR, and PPAR gamma) in the mentioned cell lines were assessed using the molecular docking calculations. The calculations showed the possible interactions and their characteristics at an atomic level.

Automated summary

The anti-cancer activities of two compounds were evaluated on esophageal cancer cell lines KYSE-150, KYSE-30, and KYSE-270, and a standard line HET 1 A. Both compounds showed neutral impact on cancer cells and had IC50 values lower than 100 mu M, indicating their potential as anticancer drugs. They also exhibited inhibitory effects on collagenase and elastase enzymes.