Related Experiment Video
Updated: May 20, 2026
Network Pharmacology Prediction and Experimental Validation of Trichosanthes-Fritillaria thunbergii Action Mechanism Against Lung Adenocarcinoma
Published on: March 3, 2023
Luteolin as a Multitarget Agent against Colorectal Cancer Explored Through Integrative Network Pharmacology,
Fernando Martínez-Esquivias1, Edar O Pech-Santiago2, Juan Manuel Guzmán-Flores1
1Departamento de Ciencias de la Salud, Centro Universitario de Los Altos, Universidad de Guadalajara, Tepatitlán de Morelos, Jalisco, México.
Background:
Colorectal cancer (CRC) is a leading cause of cancer-related death worldwide. Despite advances in current therapeutic strategies, treatment outcomes remain limited and are associated with adverse effects. Consequently, there is growing interest in bioactive compounds such as Luteolin, which has been linked to anticancer properties.
Objective:
Explore the therapeutic potential of Luteolin in CRC using a network pharmacological approach, molecular docking, and molecular dynamics.
Methods:
CRC targets were obtained from the MalaCards and DisGeNET databases. Luteolin targets were obtained from the Comparative Toxicogenomics and SwissTargetPrediction databases. Eighteen common potential targets were analyzed in DAVID to understand the gene ontology. Subsequently, a protein-protein interaction network was constructed in Cytoscape, and six hub genes were identified. These hub genes were analyzed for immune cell infiltration using the TISIDB database. Subsequently, molecular docking of the proteins with Luteolin was performed in Autodock Vina, and the three complexes with the lowest ΔG values were selected for molecular dynamics analysis using GROMACS.
Results:
Gene ontology results showed that Luteolin activates apoptosis mechanisms, affects transcription and translation processes, affects the cell nucleus, and dysregulates protein kinase activity. The affected KEGG pathways were estrogen signaling and microRNAs. Notably, TOP1 is associated with B-cell and macrophage infiltration. Finally, molecular docking and molecular dynamics confirm stable interactions between Luteolin and the hub genes.
Discussion:
Integrative analysis suggests that Luteolin exerts multi-target anticancer effects in CRC by modulating key signaling pathways and forming stable interactions with target proteins. Molecular docking and dynamics simulations support the stability and affinity of the binding.
Conclusion:
These findings suggest that Luteolin holds significant anticancer potential and may serve as a promising candidate for further experimental investigations in CRC therapy.
Insights
Luteolin shows significant potential as an anticancer agent for colorectal cancer (CRC) by interacting with multiple targets. Further research is warranted to explore Luteolin
Area of Science:
- Computational biology and pharmacology
- Network pharmacology
- Molecular modeling
Background:
- Colorectal cancer (CRC) presents a significant global health challenge with limited therapeutic outcomes.
- Existing treatments for CRC are associated with adverse effects, driving the search for novel therapeutic agents.
- Luteolin, a bioactive compound, has demonstrated potential anticancer properties.
Purpose of the Study:
- To investigate the therapeutic potential of Luteolin against colorectal cancer (CRC).
- To employ a network pharmacological approach combined with molecular docking and dynamics simulations.
- To elucidate the molecular mechanisms underlying Luteolin's anticancer effects in CRC.
Main Methods:
- Identified CRC and Luteolin targets from multiple biological databases.
- Performed gene ontology analysis and constructed a protein-protein interaction network to identify hub genes.
- Utilized molecular docking and molecular dynamics simulations to assess Luteolin's binding stability with target proteins.
Main Results:
- Luteolin was found to modulate apoptosis, transcription, translation, and protein kinase activity.
- Key pathways affected include estrogen signaling and microRNAs; TOP1 was linked to immune cell infiltration.
- Molecular docking and dynamics confirmed stable interactions between Luteolin and identified hub genes.
Conclusions:
- Luteolin exhibits multi-target anticancer effects in CRC through modulation of signaling pathways and stable protein interactions.
- Molecular simulations validate the binding affinity and stability of Luteolin with its targets.
- Luteolin represents a promising candidate for future preclinical and clinical investigations in CRC therapy.
Related Concept Videos
02:57Targeted Cancer Therapies
There are several types of targeted therapies against specific...
01:11Pharmacogenetics of Drug Targets: β₂-Adrenergic Receptors, Apo E, Thymidylate Synthase
01:29Pharmacogenomics: Identification of New Drug Targets