Download This PaperAnticancer Effect of Phytochemicals From Cyanthillium Cinereum Against Cancer Target Matrix Metallopeptidase
International Journal of Advanced Research in Engineering and Technology (IJARET), 11 (3), pp 65-78, 2020
14 Pages Posted: 24 Apr 2020
Date Written: 2020
Abstract
Matrix metallopeptidases (MMPs) are a zinc-dependent endopeptidases expressed in a variety of cancer. Most of the MMPs from this family are reported to play a vital role in cancer progression and metastasis. The MMP inhibitors discovered till date either failed in clinical trials or was not much effective leading to use of nonspecific drugs for treating cancer which either worsen the condition or exhibit severe side effects. We identified the common domain of the MMP by sequence analysis and domain prediction followed with identification of potential phytochemicals from plant Cyanthilliumcinereum capable of inhibiting hemopexin domain of matrix metallopeptidase. Intermolecular interaction analysis of the target and the lead molecules were determined and comparison of the binding affinity scores was done using LigandFit docking protocol to find the highest scoring ligands. Furthermore, molecular dynamic simulation was also carried out to elucidate the physical association of the ligand in the target. Apigenin, piperine and acetyl eugenol were identified as potential inhibitors of MMPs. These drugs were capable of outperforming the scores of batimastat and metastat which were reported as MMP inhibitors.
Keywords: Phytochemical, Matrixmetallopeptidase, Docking, ADMET, Anticancer, Cyanthilliumcinereum
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