Potential bioactive compound and hub gene identification of endometrial carcinoma using systems biology
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View abstract on PubMed
Summary
This summary is machine-generated.This study explores medicinal plant compounds as potential endometrial cancer treatments. Asarone showed promise by inhibiting a key protein (MSH2), suggesting a new therapeutic avenue.
Area Of Science
- Oncology
- Pharmacology
- Computational Biology
Background
- Endometrial carcinoma is a common gynecological malignancy with unmet therapeutic needs.
- Early detection is frequent due to symptomatic presentation, but advanced treatments are lacking.
- Herbal medicine is being explored for endometriosis treatment, showing potential efficacy.
Purpose Of The Study
- To identify bioactive compounds from medicinal herbs as potential endometrial cancer inhibitors.
- To investigate the molecular interactions between identified compounds and cancer-related targets.
- To evaluate the therapeutic potential of these natural compounds for endometrial cancer.
Main Methods
- Differential gene expression analysis using NCBI and CIViC databases to identify target proteins.
- Molecular docking and simulation studies using PDB ID: 3THW and NAMD software.
- Network analysis of gene-encoding proteins using the Cytoscape server.
Main Results
- The bioactive compound Asarone exhibited a binding energy of -7.15 Kcal/mol with protein 3THW (MSH2).
- Key interacting amino acid residues were identified (ILE648, PHE650, ILE651, VAL802, TYR815, VAL817).
- Molecular simulations indicated stable interaction, with low RMSD/SASA and high RMSF/hydrogen bonds between Asarone and MSH2.
Conclusions
- Bioactive substances from medicinal plants, like Asarone, demonstrate potential as endometrial cancer inhibitors.
- The study supports the exploration of herbal medicine for developing novel endometrial cancer therapies.
- Targeting MSH2 with natural compounds presents a promising strategy for endometrial cancer treatment.
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