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Identification of Natural Compounds to Inhibit Sonic Hedgehog Pathway in Oral Cancer
Hitarth Patel1, Jigna Joshi1, Apexa Raval1
1Department of Cancer Biology, Stem Cell Biology Lab, The Gujarat Cancer and Research Institute, Ahmedabad, Gujarat, India.
Background:
Conventional treatment resistance remains a significant problem in cancer care. Cancer stem cells might play a major role in treatment resistance, and as a result, basic stem cell pathways are instrumental in cancer. Sonic Hedgehog signaling has not been widely studied in oral cancer, and being one of the major cancer stem cell pathways, targeting it with natural compounds could open many opportunities in the treatment scenario.
Objective:
The objective of the study was to identify the role of various natural compounds as an anti-cancer agent for oral cancer by targeting the Hedgehog signaling pathway.
Methods:
The selection of natural compounds were identified through literature review and NPACT database. The protein (3M1N and 3MXW) and ligand molecules were retrieved through the PDB and PubChem database. To carry out docking experiments, the AutoDock 4.2 program was used to study the interaction between the identified protein and ligand.
Results:
Among the 13 identified natural compounds, the top three were selected based on their binding energy. The higher the binding energy on the negative side, the better the interaction formed between protein and ligand. The natural compound showing best results with 3M1N protein were Butein, Biochanin-A, and Curcumin, whereas, with 3MXW, Zerumbone, Curcumin, and Butein were identified.
Conclusion:
The identified natural compounds have shown better binding energy to bind the Hh ligands in the absence/ presence of a known Sonic Hedgehog inhibitor. Based on the results, natural compounds can be utilized in the current treatment modality for oral cancer either as an individual anti-cancer agent or in combination with the known Sonic Hedgehog inhibitor to curb the increasing incidence rate. Yet, in-vitro evidence in lab setup is required.
Insights
Natural compounds show promise in targeting the Sonic Hedgehog pathway to combat oral cancer treatment resistance. Further in-vitro studies are needed to confirm their efficacy as anti-cancer agents.
Area of Science:
- Oncology
- Pharmacology
- Biochemistry
Background:
- Treatment resistance is a major challenge in oral cancer care.
- Cancer stem cells, regulated by key pathways like Sonic Hedgehog, contribute to resistance.
- The Sonic Hedgehog pathway's role in oral cancer is underexplored, presenting a therapeutic target.
Purpose of the Study:
- To investigate natural compounds as potential anti-cancer agents for oral cancer.
- To target the Sonic Hedgehog signaling pathway using these compounds.
Main Methods:
- Literature review and NPACT database identified natural compounds.
- Protein and ligand molecules were sourced from PDB and PubChem.
- Molecular docking simulations using AutoDock 4.2 assessed interactions.
Main Results:
- Thirteen natural compounds were screened; top candidates were selected based on binding energy.
- Butein, Biochanin-A, and Curcumin showed strong binding with the 3M1N protein.
- Zerumbone, Curcumin, and Butein demonstrated significant interaction with the 3MXW protein.
Conclusions:
- Identified natural compounds exhibit favorable binding to Hedgehog ligands.
- These compounds could serve as standalone or combination therapies for oral cancer.
- Further in-vitro validation is necessary to confirm therapeutic potential.
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