Therapeutic potential of kakkatin derivatives against hepatocellular carcinoma

Figure 1 Intervention of 6-(hept-6-yn-1-yloxy)-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, a kakkatin derivative, induces the activation of the apoptotic pathway and inhibition of cell proliferation, migration, invasion, and metastasis in the hepatocellular carcinoma cell line SMMC-7221. A kakkatin derivative formed by the introduction of a competing group, hept-6-yn-1-yl ethane sulphonate, to the phenolic hydroxyl group of the kakkatin structure was explored for its antitumor activity in hepatocellular carcinoma (HCC) SMMC-7221 cells. Binding energy (kcal/mol) of 6-(hept-6-yn-1-yloxy)-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one with phosphodiesterase 3B (PDE3B), adrenoceptor beta 1 (ADRB1), protein kinase cyclic adenosine 3,5-monophosphate-activated catalytic subunit beta (PRKACB), and nuclear factor kappa B subunit 1 (NF-κB1) was checked by molecular docking. Real-time reverse transcriptase-PCR was performed to validate upregulation of NF-κB1 and PDE3B expression, which in turn inhibit cancer cell invasion, migration, and HCC progression.