Document Type : Research Article
Authors
1
Department of Burn plastic surgery, Central Hospital Affiliated to Shandong First Medical University, No. 105 Jiefang Road, Jinan, Shandong Province, 250013, China
2
Department of Plastic surgery, Central Hospital Affiliated to Shandong First Medical University, No. 105 Jiefang Road, Jinan, Shandong Province, 250013, China
3
Department of Anorectal, Central Hospital Affiliated to Shandong First Medical University, No. 105 Jiefang Road, Jinan, Shandong Province, 250013, China
Abstract
The creation of novel enzyme inhibitors and anti-cancer therapeutics has recently been one of medicinal chemistry's main objectives. Furthermore, the β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) reductase and urease enzyme inhibition activities of these compounds were investigated. The obtained results revealed that Bavachalcone, with IC50 value of 13.27±1.38 µM against HMG-CoA reductase and Ladanein with IC50 value of 3.08±0.25 µM against urease, were the most potent compounds against both assigned enzymes. It should be emphasized that all substances were more effective at inhibiting both enzymes than the common inhibitor tacrine. The chemical activities of bavachalcone, isobavachalcone, ladanein, and salvigenin against pancreatic HMG-COA reductase and urease were evaluated by conducting a molecular docking study. The anti-cancer activities of these compounds were investigated against colon cancer cells such as SNU-C1, SW48, RKO, COLO-205, SW1417, and LS411N. The chemical activities of bavachalcone, isobavachalcone, ladanein, and salvigenin against some of the expressed surface receptor proteins (CD44, endothelin receptor, EGFR, CD47, CXCR4, and HER2) in the mentioned cell lines were assessed using the molecular docking calculations. In the cancer part, all of the investigated molecules, exhibited the most potent growth inhibition in the six colon cancer cells, with an IC50 value of 5.56–200 µM, indicating that they are more powerful than 5FU, which exhibited an IC50 value of 37.36±4.69–56.06±6.82 µM except Ladanein. The docking scores showed that these compounds have strong binding affinities to the enzymes and receptors. In addition, the compounds formed strong contacts with the proteins. Thus, these compounds could be potential inhibitors for enzymes and cancer cells.
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