Evaluation of Detrimental Missense SNPs of Human CXCL6 Gene by Combining Algorithms, Homology Modeling, and Molecular Docking
Keywords:
CXCL6, Cancer, Inflammation, SNPAbstract
Cancer is marked by uncontrolled cell proliferation, often driven by genetic mutations, including alterations in the CXCL6 gene on chromosome 4q21. CXCL6 is a crucial gene involved in immune responses and inflammation and has been implicated in promoting tumor growth and metastasis when overexpressed. This study utilized various bioinformatics tools to investigate the pathogenicity of missense nsSNPs within the CXCL6 gene, identified through the NCBI-SNP database and assessed their impact on protein stability and structural integrity. A total of 22 nsSNPs were identified as potentially harmful, with mutations such as L47M, C51R, L92M, L92V, P73S, and Q104K demonstrating significant structural alterations. Mutation clustering was performed using Mutation3D, and molecular docking studies were conducted with PyRx to evaluate ligand interactions with both wild-type and mutant protein forms. Five of the 25 ligands examined displayed promising docking scores, suggesting their potential as therapeutic inhibitors. Additionally, the Hope algorithm provided further insights into the structural consequences of these mutations. This study highlights the role of CXCL6 mutations in cancer progression and underscores the potential of CXCL6 expression as a predictive biomarker across various cancer types. These findings offer a foundation for exploring CXCL6 as a therapeutic target, contributing to personalized approaches in cancer treatment.
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