PMID- 37353066 OWN - NLM STAT- MEDLINE DCOM- 20230712 LR - 20230718 IS - 1096-0309 (Electronic) IS - 0003-2697 (Linking) VI - 675 DP - 2023 Aug 15 TI - Uncovering the molecular mechanisms of Fructus Choerospondiatis against coronary heart disease using network pharmacology analysis and experimental pharmacology. PG - 115214 LID - S0003-2697(23)00179-3 [pii] LID - 10.1016/j.ab.2023.115214 [doi] AB - Fructus Choerospondiatis (FC), a Mongolian medicine, was mainly used in Mongolian medical theory for the treatment of coronary heart disease (CHD). Nonetheless, the main components and mechanisms of action of FC in the treatment of coronary artery disease have not been studied clearly. AIM OF THE STUDY: The aim of this study is to identify the components of FC and analyze the pathways affected by the targets of these components to probe into the potential mechanisms of action of FC on coronary heart disease. MATERIALS AND METHODS: Identification of compounds in FC employing high performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (HPLC-QTOF-MS) method, then further investigate the network pharmacology and molecular docking to obtain potential targets and elucidate the potential mechanism of action of FC in the therapy of CHD. Experimental validation was established to verify the mechanism of FC in vitro. RESULTS: 21 FC components were identified and 65 overlapping targets were gained. In addition, these ingredients regulated AMPK and PPAR signaling pathway by 65 target genes including IL6, AKT1 and PPARg, etc. Molecular docking displayed that the binding ability of the key target PPARg to FC components turned out to be better. Experimental validation proved that FC treatment decreased the expression of PPARg (p < 0.05) compare with model group, which may be involved in the PPAR signaling pathway. CONCLUSIONS: This study was the first to elucidate the mechanism of action of components of FC for the treatment of CHD using network pharmacology. It alleviated CHD by inhibiting the expression of PPARg to attenuate hypoxia/reoxygenation injury, and the results give a basis for elucidating the molecular mechanism of action of FC for the treatment of coronary heart disease. CI - Copyright (c) 2023 Elsevier Inc. All rights reserved. FAU - Gao, Xun AU - Gao X AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. Electronic address: gaoxun_2017@163.com. FAU - Zhang, Yue AU - Zhang Y AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. FAU - Li, Tingting AU - Li T AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. FAU - Li, Jioajiao AU - Li J AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. FAU - Su, Yingying AU - Su Y AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. FAU - Wang, Hongsen AU - Wang H AD - Jiangsu Yuanchuang Pharmaceutical Research and Development Co., Ltd, China. FAU - Yan, Zhankuan AU - Yan Z AD - Jiangsu Yuanchuang Pharmaceutical Research and Development Co., Ltd, China. FAU - Qin, Kunming AU - Qin K AD - Jiangsu Key Laboratory of Marine Bioresources and Environment, Jiangsu Ocean University, Lianyungang, 222005, China; Co-Innovation Center of Jiangsu Marine Bio-Industry Technology, Jiangsu Ocean University, Lianyungang, 222001, China; School of Pharmacy, Jiangsu Ocean University, Lianyungang, 222005, China. Electronic address: qinkm123@126.com. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20230621 PL - United States TA - Anal Biochem JT - Analytical biochemistry JID - 0370535 RN - 0 (PPAR gamma) RN - 0 (Drugs, Chinese Herbal) SB - IM MH - Humans MH - Molecular Docking Simulation MH - Network Pharmacology MH - PPAR gamma MH - *Coronary Disease/drug therapy MH - Chromatography, High Pressure Liquid MH - *Drugs, Chinese Herbal/pharmacology/therapeutic use OTO - NOTNLM OT - Coronary heart disease OT - Fructus choerospondiatis OT - H9c2 cell line OT - Hypoxia/reoxygenation OT - Molecular cell biology OT - Molecular docking OT - Network pharmacology OT - PPARg COIS- Declaration of competing interest The authors report there are no competing interests to declare. EDAT- 2023/06/24 11:42 MHDA- 2023/07/12 06:42 CRDT- 2023/06/23 19:15 PHST- 2023/03/20 00:00 [received] PHST- 2023/05/29 00:00 [revised] PHST- 2023/06/11 00:00 [accepted] PHST- 2023/07/12 06:42 [medline] PHST- 2023/06/24 11:42 [pubmed] PHST- 2023/06/23 19:15 [entrez] AID - S0003-2697(23)00179-3 [pii] AID - 10.1016/j.ab.2023.115214 [doi] PST - ppublish SO - Anal Biochem. 2023 Aug 15;675:115214. doi: 10.1016/j.ab.2023.115214. Epub 2023 Jun 21.