Treatment of Cardiovascular Disease by Traditional Chinese Medicine against Pregnane X Receptor

Abstract

Recently, cardiovascular disease, also known as loop circulatory system diseases or disorders, is one of the serious diseases including heart disease, stroke, atherosclerosis, myocardial infarction, hypertension, hypotension, and thrombosis. Human pregnane X receptor, PXR, plays a crucial role in exogenous and endobiotic metabolism for rabbit, rat, mouse, and human. The PXR activation can protect the blood vessels from damage of hazardous substances. In this study we aim to investigate the potent lead compounds as PXR receptor agonist against cardiovascular disease. To improve drug development of TCM compounds, we aim to investigate the potent lead compounds as PXR agonists from the TCM compounds in TCM Database@Taiwan. The top three TCM compounds, bis(4-hydroxybenzyl) ether mono-β-D-glucopyranoside (BEMG), ixerisoside, and tangshenoside II, have displayed higher potent binding affinities than the positive control, PNU-142721, in the docking simulation. After MD simulations, which can optimize the result of docking simulation and validate the stability of H-bonds between each ligand and PXR protein under dynamic conditions, top TCM compounds, BEMG and tangshenoside II, maintain most of interactions with PXR protein, which keep the ligand binding stable in the binding domain. Hence, we propose BEMG and tangshenoside II as potential lead compounds for further study in drug development process with the PXR protein.

Systems pharmacology-based approach for dissecting the active ingredients and potential targets of the Chinese herbal Bufei Jianpi formula for the treatment of COPD

“…Among these, diosgenin, icariin, and nobiletin, which are the principal active compounds of PR, EH, and CRP, have been demonstrated to have extensive pharmacological activities as predicted in the current study. 27 , 36 , 37 Similarly, luteolin and quercetin, which occur widely in herbs such as AR, ATR, AJH, and EH, have been shown to overcome OB barriers by inhibition of permeability glycoprotein and possess a broad spectrum of biological and pharmacological properties. 38 , 39 …”

Composite Superelastic Aerogel Scaffolds Containing Flexible SiO2 Nanofibers Promote Bone Regeneration

“…[ 14 ] By optimizing the content of short nanofibers and freeze‐drying parameters, a 3D scaffold with a pore size of up to 100 microns and a porosity of more than 90% was fabricated, which not only promoted cell growth but also allowed neo‐vessel formation, thereby promoting host‐implant integration for the constructive remodeling of scaffolds post‐implantation. Different kinds of polymers can be used for the production of 3D porous degradable scaffolds, including poly(L‐lactide)/gelatin (PLA/gel), [ 15 ] poly(L‐lactide)/poly( ε ‐caprolactone) (PLA/PCL), [ 16 ] poly(caprolactone) (PCL), [ 17 ] and PLA/chitosan. [ 18 ] However, as the natural bone is an inorganic‐organic hybrid, bio‐mimicking the native microenvironment may hold great promise for BTE.…”

Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies

“…Cardiovascular diseases (CVDs) are the leading cause of mortality worldwide, including coronary artery diseases (CAD), hypertensive, heart disease, stroke, cardiomyopathy, endocarditis, heart arrhythmia, aortic aneurysms, and peripheral artery disease [ 1 , 2 ]. Among these diseases, hypertension is a high-incidence cardiovascular disease around the world, leading to 7 million deaths each year and about 25% of adults suffer from the disease [ 3 ].…”