2021
DOI: 10.1155/2021/9965906
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Exploring the Molecular Mechanism of Action of Yinchen Wuling Powder for the Treatment of Hyperlipidemia, Using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

Abstract: Background. Yinchen Wuling powder is often used to treat clinical hyperlipidemia, although its mechanism of action remains unclear. In this study, we aimed to investigate the active ingredients found in Yinchen Wuling powder and find its mechanism of action when treating hyperlipidemia, using a combination of network pharmacology, molecular docking, and molecular dynamics simulation approaches. Methods. The TCMSP database was used to obtain the principle active ingredients found in Yinchen Wuling powder and th… Show more

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Cited by 58 publications
(34 citation statements)
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“…Besides, both TNF and its type 1 receptor (TNFRI) can regulate amyloid formation through secreted enzymes (Gao et al, 2021). The AGE-RAGE signaling pathway, when activated, can induce the production of NF-Κβ and in ammatory factors which are important mechanism of BPSD (Ye et al, 2021).…”
Section: Discussionmentioning
confidence: 99%
“…Besides, both TNF and its type 1 receptor (TNFRI) can regulate amyloid formation through secreted enzymes (Gao et al, 2021). The AGE-RAGE signaling pathway, when activated, can induce the production of NF-Κβ and in ammatory factors which are important mechanism of BPSD (Ye et al, 2021).…”
Section: Discussionmentioning
confidence: 99%
“…Then, exported the structure to a ligand file in PDBQT format [ 26 ] Constructing grid box: Imported the PDBQT structures of target and ligand into AutoDock4 and defined the grid box of molecular docking. The target structure was used as the grid's center, and the center coordinates (center x/y/z) and box size (size x/y/z) parameters were adjusted to ensure that the grid box completely covers the target structure [ 27 , 28 ] Molecular docking and visualization: Autogrid program was run for the first docking operation. After Genetic Algorithm was used for the calculating, the Autodock program was run for the second docking operation [ 29 ].…”
Section: Methodsmentioning
confidence: 99%
“…Gromacs is a powerful molecular dynamics simulation software, which has great advantages in simulating the Newtonian motion of a large number of molecular systems [ 24 ]. The molecular dynamics (MD) simulation uses the Gromacs 2018.4 program [ 43 ] to perform the molecular dynamics simulation on the protein active ingredients obtained by molecular docking under constant temperature and pressure and periodic boundary conditions.…”
Section: Methodsmentioning
confidence: 99%
“…In recent years, as a part of bioinformatics technology, network pharmacology has unprecedented advantages with the rapid development of bioinformatics technology, especially molecular docking, molecular dynamics, and other computer simulation technologies [ 24 ]. On the one hand, it can explore the relationship between drugs and diseases as a whole, and on the other hand, it can systematically reveal the molecular mechanism of drug-disease interactions.…”
Section: Introductionmentioning
confidence: 99%