Molecular insights into HPV-16 L2 capsid protein and inhibitor screening study

Human papillomavirus type 16 (HPV-16) is the most prevalent high-risk genotype associated with cervical cancer, posing a significant global health burden. Despite their effectiveness in preventing HPV infections, the current prophylactic vaccines do not provide therapeutic benefits to individuals who are already infected. The L2 minor capsid protein of HPV plays a crucial role in viral genome packaging and intracellular trafficking, making it a promising target for antiviral intervention. This study focuses on the molecular profiling of HPV-16 L2 gene and the identification and screening of potential inhibitors that can disrupt its function, paving the way for novel therapeutic strategies against HPV-16 associated malignancies. The HPV-16 L2 gene was amplified, sequenced, and translated for protein structure prediction. In silico analyses, including molecular docking and dynamics simulations, were conducted to identify the possible potential L2 protein inhibitors. Four amino acid changes T345P, T352P, E340R, and V324G were frequently observed in L2 sequences of the present study, which may influence HPV-16 function and its role in cancer development. The computational analysis identified Belinostat as a potential natural inhibitor with the highest binding energy against the HPV-16 L2 protein, suggesting its antiviral potential. The identified molecule thus represents a good starting point for the development of anti-HPV drugs in the future.