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Methods

The non-coding RNA microarray dataset of NSCLC cells was analysed to identify the differentially expressed genes regulated by lncRNA, which drives radioresistance. The study comprises three volatile ligands due to their good pharmacokinetic profile to target the identified lncRNA.

Results

The analysis revealed the dysregulation of the cell cycle, evasion of apoptosis and cancer immune response. A co-expression analysis with a network pharmacology approach revealed an lncRNA ENST00000605056 regulating three highly ranked hub genes. The molecular interaction studies uncovered their high binding affinity to its binding pocket with a preponderance of non-covalent bond interactions between the ligand and the nucleotides. The molecular dynamics simulations revealed the binding stability of ligands to the lncRNA with a very low deviation compared to the control.

Conclusion

This study demonstrates the ability of small molecules to target lncRNA in addressing the global concern of radioresistance among NSCLC patients, thereby facilitating future translational studies.