Therapeutic properties and enzyme inhibition potentials of some natural compounds on hyaluronidase, collagenase, and elastase with molecular docking studies
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引用次数: 0
Abstract
In this study, isobavachalcone and bavachalcone molecules obtained excellent to good inhibitory against hyaluronidase, collagenase, and elastase enzymes with IC50 values of 16.65, 4.18, and 0.79 µM for isobavachalcone and 7.31, 19.38, and 10.56 µM for bavachalcone. The chemical activities of these compounds against hyaluronidase, collagenase enzyme, and elastase were evaluated utilizing the molecular modeling study. Molecular docking was used to investigate the chemical activities of isobavachalcone and bavachalcone against hyaluronidase, collagenase, and elastase. The compounds’ anti-cancer activities were tested against MDA-MB-468, Hs 281.T, AU565, CAMA-1, MCF7, NMU, SK-BR-3, and RBA cell lines. Molecular docking calculations were used to evaluate the chemical activities of isobavachalcone and bavachalcone against some of the expressed surface receptor proteins (folate receptor, EGFR, HER2, progesterone receptor, estrogen Receptor, CD47, androgen receptor, and CD44) in the mentioned cell lines. The findings revealed the most likely interactions and their properties at the atomic level. The docking values revealed that the molecules have a high affinity for enzymes. Furthermore, these molecules made direct contact with the receptors and enzymes. As a result, these chemical molecules may have the potential to inhibit cancer cells and enzymes. Furthermore, even at low doses, these compounds significantly reduced breast cancer cell viability. Furthermore, a 100 M dose of all molecules resulted in significant reductions in breast cancer cell viability.
Graphical abstract
Therapeutic Properties and Enzyme Inhibition Potentials of Some Natural Compounds on Hyaluronidase, Collagenase, and Elastase With Molecular Docking Studies.
期刊介绍:
Original research on all aspects of polymer science, engineering and technology, including nanotechnology
Presents original research articles on all aspects of polymer science, engineering and technology
Coverage extends to such topics as nanotechnology, biotechnology and information technology
The English-language journal of the Polymer Society of Korea
Macromolecular Research is a scientific journal published monthly by the Polymer Society of Korea. Macromolecular Research publishes original researches on all aspects of polymer science, engineering, and technology as well as new emerging technologies using polymeric materials including nanotechnology, biotechnology, and information technology in forms of Articles, Communications, Notes, Reviews, and Feature articles.