Combinatorial chemistry & high throughput screening · 2021
The Study on the Active Ingredients and Potential Targets of Rice Bran Petroleum Ether Extracts for Treating Diabetes Based on Network Pharmacology.
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Huang Xulong, Zhang Mei, Wu Hongmei, Wang Xiangpei, Xu Feng
Аннотация
AIM AND OBJECTIVE: In ancient China, rice bran was used to treat diabetes and hyperlipidemia. The aim of this paper is to explore the active compounds and underlying mechanism of Rice Bran Petroleum Ether extracts (RBPE) against diabetes using network pharmacology.
MATERIALS AND METHODS: Gas chromatography-mass spectrometer analysis was performed to identify the chemical composition in RBPE. Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Swiss Target Prediction database, BATMAN-TCM, comprehensive database of human genes and gene phenotypes, therapeutic target database, DurgBank and GeneCards database were used to screen targets. The "component-target-disease" interactive network was constructed by Cytoscape software. Gene ontology and pathways related to the targets were analyzed by ClueGO, and core targets were screened by the MCODE, and Autodock vina was used for molecular docking.
RESULTS: The compounds with a percentage greater than 1.0% were selected for subsequent analysis. The RBPE contains oleic acid, (E)-9-Octadecenoic acid ethyl ester, and other chemical components that can regulate insulin, mitogen-activated protein kinase 3, epidermal growth factor receptor, mitogen-activated protein kinase 1, and other genes, which were mainly related to Pathways in cancer, Human cytomegalovirus infection and AGE-RAGE signaling pathway in diabetic complications, etc. The affinity of the core compounds and the corresponding protein of the gene targets was good.
CONCLUSION: The results of network pharmacology analysis indicate that the RBPE has multiple anti- diabetic ingredients, and RBPE exert anti-diabetic activity through multiple targets and signaling pathways. The present study can provide a scientific basis for further elucidating the mechanism of RBPE against diabetes.
MATERIALS AND METHODS: Gas chromatography-mass spectrometer analysis was performed to identify the chemical composition in RBPE. Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Swiss Target Prediction database, BATMAN-TCM, comprehensive database of human genes and gene phenotypes, therapeutic target database, DurgBank and GeneCards database were used to screen targets. The "component-target-disease" interactive network was constructed by Cytoscape software. Gene ontology and pathways related to the targets were analyzed by ClueGO, and core targets were screened by the MCODE, and Autodock vina was used for molecular docking.
RESULTS: The compounds with a percentage greater than 1.0% were selected for subsequent analysis. The RBPE contains oleic acid, (E)-9-Octadecenoic acid ethyl ester, and other chemical components that can regulate insulin, mitogen-activated protein kinase 3, epidermal growth factor receptor, mitogen-activated protein kinase 1, and other genes, which were mainly related to Pathways in cancer, Human cytomegalovirus infection and AGE-RAGE signaling pathway in diabetic complications, etc. The affinity of the core compounds and the corresponding protein of the gene targets was good.
CONCLUSION: The results of network pharmacology analysis indicate that the RBPE has multiple anti- diabetic ingredients, and RBPE exert anti-diabetic activity through multiple targets and signaling pathways. The present study can provide a scientific basis for further elucidating the mechanism of RBPE against diabetes.