In Silico Analysis and Experimental Validation of Active Compounds from Cichorium intybus L. Ameliorating Liver Injury

Abstract

This study aimed at investigating the possible mechanisms of hepatic protective activity of Cichorium intybus L. (chicory) in acute liver injury. Pathological observation, reactive oxygen species (ROS) detection and measurements of biochemical indexes on mouse models proved hepatic protective effect of Cichorium intybus L. Identification of active compounds in Cichorium intybus L. was executed through several methods including ultra performance liquid chromatography/time of flight mass spectrometry (UPLC-TOF-MS). Similarity ensemble approach (SEA) docking, molecular modeling, molecular docking, and molecular dynamics (MD) simulation were applied in this study to explore possible mechanisms of the hepato-protective potential of Cichorium intybus L. We then analyzed the chemical composition of Cichorium intybus L., and found their key targets. Furthermore, in vitro cytological examination and western blot were used for validating the efficacy of the selected compounds. In silico analysis and western blot together demonstrated that selected compound 10 in Cichorium intybus L. targeted Akt-1 in hepatocytes. Besides, compound 13 targeted both caspase-1 and Akt-1. These small compounds may ameliorate liver injury by acting on their targets, which are related to apoptosis or autophagy. The conclusions above may shed light on the complex molecular mechanisms of Cichorium intybus L. acting on hepatocytes and ameliorating liver injury.

The Synergetic Effect of Egyptian Portulaca oleracea L. (Purslane) and Cichorium intybus L. (Chicory) Extracts against Glucocorticoid-Induced Testicular Toxicity in Rats through Attenuation of Oxidative Reactions and Autophagy

“…Therefore, balanced oxidative stress parameters (MDA and GSH levels and GPx and GST activities) were re-established in the testicles after administration of PEE and CWE, resulting from all these factors working together. Harmonious with these findings, previous studies illustrated the antioxidant and health-improving activities of Purslane [122][123][124]129] and Chicory extracts [130][131][132]. Thus, administration of PEE and CWE along with Dexa-enhanced antioxidative enzyme activities, suppressing lipid peroxidation and thus rescuing testes from Dexa-induced oxidative load.…”

Research Progress on the Homologous Effects of Cichorium glandulosum Boiss. et Huet on Medicine and Food: A Review

“…This helps clarify the effect of chicory on liver cells and the mechanism underlying its improvement of liver damage. 27 The phenolic acid compounds proved to be contained in Cichorium glandulosum Boiss. et Huet are shown in Table 2 and the compound structure is shown in Figure 3.…”

Comparing the Effects of Consuming Propolis and Chicory for Eight Weeks and Resistance Training on Histopathological and Morphometric Changes of Uterine Tissue in Rats Treated With Testosterone Enanthate

“…For the propolis group, propolis was used at a dose of 400 mg/kg body weight in the form of gavage 3 times a week [21]. For the chicory group, chicory was used at a dose of 6 g/kg of body weight in the form of gavage 3 times a week [22]. According to the determination of the period of the estrus cycle in females, dissection was performed in the metestrus stage 24 h following the last session.…”