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Title: | Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes |
Authors: | Guzmán Flores, Juan Manuel Pérez Vázquez, Victoriano Martínez Esquivias, Fernando Isiordia Espinoza, Mario Alberto Viveros Paredes, Juan Manuel |
Keywords: | diabetes Cannabis sativa network pharmacology molecular docking gene ontology |
Issue Date: | Sep-2023 |
Publisher: | MDPI |
Citation: | Guzmán-Flores, J.M.; Pérez-Vázquez, V.; Martínez- Esquivias, F.; Isiordia-Espinoza, M.A.; Viveros-Paredes, J.M. Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes. Curr. Issues Mol. Biol. 2023, 45, 7228–7241. https://doi.org/10.3390/ cimb45090457 |
Series/Report no.: | Current Issues in Molecular Biology;2023, 45(9), 7228-7241 |
Abstract: | The incidence of type 2 diabetes (T2D) is rising, and finding new treatments is important. C. sativa is a plant suggested as a potential treatment for T2D, but how it works needs to be clarified. This study explored the pharmacological mechanism of C. sativa in treating T2D. We identified the active compounds in C. sativa and their targets. From there, we examined the genes associated with T2D and found overlapping genes. We conducted an enrichment analysis and created a protein–protein and target–compound interactions network. We confirmed the binding activities of the hub proteins and compounds with molecular docking. We identified thirteen active compounds from C. sativa, which have 150 therapeutic targets in T2D. The enrichment analysis showed that these proteins are involved in the hormone, lipid, and stress responses. They bind transcription factors and metals and participate in the insulin, PI3K/Akt, HIF-1, and FoxO signaling pathways. We found four hub proteins (EGFR, ESR1, HSP90AA1, and SRC) that bind to the thirteen bioactive compounds. This was verified using molecular docking. Our findings suggest that C. sativa’s antidiabetic action is carried out through the insulin signaling pathway, with the participation of HIF-1 and FoxO. |
Description: | Artículo |
URI: | http://repositorio.cualtos.udg.mx:8080/jspui/handle/123456789/1583 |
ISSN: | 1467-3045 |
Appears in Collections: | 3209 Artículos |
Files in This Item:
File | Description | Size | Format | |
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Molecular Docking Integrated with Network Pharmacology.pdf | Documento | 3.28 MB | Adobe PDF | View/Open |
Enlace a_Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism.htm | Enlace a publicación | 43.86 kB | HTML | View/Open |
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