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{"title":"Determination andnMechanism of Antidiarrheal ChemicalnConstituents of Paederia scandens Determinednby HPLC-ESI-MS Integrated with Network Pharmacology","authors":"Liwen Ai (16640438), Liyang Guo (8901890), Weixue Liu (16640441), Xuexue Xue (16640444), Lulu Li (608444), Zunlai Sheng (5628983), Chunbo Gao (16640447)","doi":"10.1021/acsomega.3c03887.s001","DOIUrl":"https://doi.org/10.1021/acsomega.3c03887.s001","url":null,"abstract":"Paederia scandens is annatural medicinalnplant that is widely used for its various pharmacological effectsnincluding antiviral, antitumor, anti-inflammatory, and antibacterialnactivities. However, there is no scientific evidence to support itsnantidiarrheal effect. In this study, the antidiarrheal activity of P. scandens was evaluated using several validatednmodels. By using HPLC-ESI-MS in conjunction with a network pharmacologynapproach, the possible antidiarrheal mechanisms of P. scandens active fragments were studied, and theynwere subsequently verified in a mouse model of diarrhea. Finally,nutilizing molecular docking, active compounds that might have antidiarrhealnproperties were hypothesized. The results show that the main antidiarrhealnpart of P. scandens has 10 chemicalncomponents in the <i>n</i>-butanol fraction (PSNB). Thenkey targets of PSNB and diarrhea, EGFR, AKT1, and PIK3CA, were screenednby network pharmacology analysis. And the mechanism of PSNB in thentreatment of diarrhea may be highly related to the EGFR tyrosine kinaseninhibitor resistance and PI3K/AKT signaling pathway. Besides, throughnthe qRT-PCR and western-blot experiments, it was found that PSNB couldninhibit the gene expression of proinflammatory factors by reducingnthe protein expression of AKT1 and PI3K and regulating the NF-κBnsignaling pathway in mice. In addition, asperuloside, paederosidicnacid, paederoside, paederosidic acid methyl ester, and 6′-O-E-feruloylmonotropeinnhave better docking energies than other chemical components in PSNBnwith EGFR, AKT1, and PIK3CA. In conclusion, the main antidiarrhealnactive site of P. scandens is the <i>n</i>-butanol site. PSNB may exert an antidiarrheal effect bynregulating the PI3K/Akt/NF-κB signaling pathway. Among them,nasperuloside, paederosidic acid, paederoside, paederosidic acid methylnester, and 6′-O-E-feruloylmonotropein may be the active ingredientsnthat exert an antidiarrheal effect.","PeriodicalId":523377,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147914853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}