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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. 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
ISSN: 1467-3045
Appears in Collections:3209 Artículos

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