Study of receptors involved in anticancer therapy

Abstract

Background: PD-L1(Programmed Death Ligand-1) is a key immune checkpoint target in anticancer therapy. Many small molecule inhibitors have been proposed via in silico studies, but their comparative performance analysis remains lacking. Objective: To conduct a meta-analysis of PD-L1 inhibitors based on binding affinities, interaction patterns and structural features. Methods: Data from 27 articles covering 69 ligands were analyzed. Variables included binding free energies, RMSD values, molecular interactions and key amino acids. A forest plot was constructed to statistically evaluate binding affinity variations. Results: The forest plot showed a statistically significant difference in binding energies (Z= 6.09, p< 0.00001), confirming non-random performance among top ligands. Common residues included Tyr56, Met115 and Ala121. Frequent features were hydrogen bonds, π-π stacking and hydrophobic interactions. Conclusion: This work identifies key interaction motifs and substituents for potent PD-L1 inhibition, supporting their use in future structure-based drug design.