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Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes

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...

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Autores principales: Guzmán-Flores, Juan Manuel, Pérez-Vázquez, Victoriano, Martínez-Esquivias, Fernando, Isiordia-Espinoza, Mario Alberto, Viveros-Paredes, Juan Manuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10529732/
https://www.ncbi.nlm.nih.gov/pubmed/37754241
http://dx.doi.org/10.3390/cimb45090457
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author Guzmán-Flores, Juan Manuel
Pérez-Vázquez, Victoriano
Martínez-Esquivias, Fernando
Isiordia-Espinoza, Mario Alberto
Viveros-Paredes, Juan Manuel
author_facet Guzmán-Flores, Juan Manuel
Pérez-Vázquez, Victoriano
Martínez-Esquivias, Fernando
Isiordia-Espinoza, Mario Alberto
Viveros-Paredes, Juan Manuel
author_sort Guzmán-Flores, Juan Manuel
collection PubMed
description 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.
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spelling pubmed-105297322023-09-28 Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes Guzmán-Flores, Juan Manuel Pérez-Vázquez, Victoriano Martínez-Esquivias, Fernando Isiordia-Espinoza, Mario Alberto Viveros-Paredes, Juan Manuel Curr Issues Mol Biol Article 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. MDPI 2023-09-01 /pmc/articles/PMC10529732/ /pubmed/37754241 http://dx.doi.org/10.3390/cimb45090457 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Guzmán-Flores, Juan Manuel
Pérez-Vázquez, Victoriano
Martínez-Esquivias, Fernando
Isiordia-Espinoza, Mario Alberto
Viveros-Paredes, Juan Manuel
Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title_full Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title_fullStr Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title_full_unstemmed Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title_short Molecular Docking Integrated with Network Pharmacology Explores the Therapeutic Mechanism of Cannabis sativa against Type 2 Diabetes
title_sort molecular docking integrated with network pharmacology explores the therapeutic mechanism of cannabis sativa against type 2 diabetes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10529732/
https://www.ncbi.nlm.nih.gov/pubmed/37754241
http://dx.doi.org/10.3390/cimb45090457
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