Design, graph theoretical analysis and bioinformatic studies of proanthocyanidins encapsulated ethyl cellulose nanoparticles for effective anticancer activity

Abstract

Phytoconstituent’s has significant antioxidant and anticancer activity against various types of cancer cells. But these water soluble phytoconstituent’s has poor absorption due to their huge molecular size as well as it cannot be reach at the targeted disease site, thus targeted drug delivery system is one of the effective approaches to enhancing the bioavailability and decreasing drug toxicity. To achieve this target, the Proanthocyanidins (Pro) and ethyl cellulose (EC) was used to formulate nanoparticles (NPs) for effective drug delivery system. The Pro encapsulated ECNPs were formulated by simple anti-solvent particle induction method and its physico-chemical characteristics were examined by FTIR, XRD, Zeta size analyzer, SEM, and TEM. The graph theoretical network analysis was implemented to identify the drug target and subsequently molecular docking studies were screened. The identified target using graph theoretical analysis and molecular docking study reported strong interaction of Pro encapsulated ECNPs in binding pockets of MAPK. The formulated ECNPs has been very effective in arresting the proliferation of colon cancer (HT-29) cells with an IC50 value of 33.4 μg ml−1 after 24 h treatment. Further, HT-29 cells exposure with Pro encapsulated ECNPs resulted in typical apoptotic through necrotic cellular morphology, loss of mitochondrial transmembrane potential, and high ROS generation were also observed. The observed results highlight that EC as a potential carrier material for enhancing the bioavailability of anti-cancer drugs.