ABSTRACT
Nelumbinis Plumula has the traditional sedative effect,but its mechanism is unclear. In this study,the relationship between traditional sedative effect and hypnotic effect of Nelumbinis Plumula was taken as the starting point to study the hypnotic mechanism of the major medicinal components in Nelumbinis Plumula by the network pharmacology method. Targets of active Nelumbinis Plumula alkaloids were screened by Swiss Target Prediction server,TCMSP and BATMAN-TCM. Targets of hypnotic drugs approved by FDA were screened from Drug Bank,OMIM,TTD databases. The common targets were screened by GO and KEGG pathways. Cytoscape 3. 7. 1 software was used to construct the network of " active component-target-pathway-disease". The results of network analysis showed that 21 active compounds were associated with 44 targets and 28 pathways. Among them,21 compounds,35 targets and 15 pathways were predicted to be related to sedative hypnosis. Nelumbinis Plumula showed the hypnotic effect by acting on neuroactive ligand-receptor interaction pathway,regulation of actin cytoskeleton pathway,calcium signaling pathway,cholinergic synapse pathway.This study preliminarily revealed the potential active compounds and possible mechanisms of traditional sedative effect of Nelumbinis Plumula,which provided a theoretical basis for further experimental studies on medicinal materials and its mechanisms.
Subject(s)
Alkaloids , Drugs, Chinese Herbal , Hypnotics and SedativesABSTRACT
Antithrombus is one of the effective methods to prevent and treat cardiovascular diseases. Based on the theory of traditional Chinese medicine,the author's previous research and relevant literature,it was found that the alkaloids in Houttuynia cordata has potential antithrombotic effect. However,the pharmacological substance basis and antithrombotic mechanism of H. cordata have not been clarified. In this study,molecular docking was used for virtual screening of antithrombotic alkaloids from H. cordata. Seventy alkaloids selected from H. cordata were screened in the docking ligand data-base with teen thrombosis targets with known crystal structures as the receptors. In addition,the small-molecule approved or to be approved drugs of targets from Drug Bank database were set as a positive reference with minimum score(S value) of each target's approved or to be approved drugs as threshold. The Dock module in Molecular Operating Environment(Version 2016) software was applied to screen the potential active compounds which their scores(S value) were lower than the minimum score of reference. At last the mechanism of antithrombotic effect was preliminarily revealed by compared the main active sites of the test alkaloids with original ligands and references. This study provided some useful information to development of antithrombus drugs.
