Potential Benefits of In Silico Methods: A Promising Alternative in Natural Compound’s Drug Discovery and Repurposing for HBV Therapy

Pharmaceuticals, Journal Year: 2025, Volume and Issue: 18(3), P. 419 - 419

Published: March 16, 2025

Hepatitis B virus (HBV) is an important global public health issue. The World Health Organization (WHO) 2024 Global Report estimated that the prevalence of people living with HBV infection 254 million, incidence 1.2 million new infections yearly. Previous studies have shown natural compounds antiviral inhibition potentials. In silico methods such as molecular docking, virtual screening, pharmacophore modeling, quantitative structure–activity relationship (QSAR), and dynamic simulations been successfully applied in identifying bioactive strong binding energies treatment targets. COVID-19 pandemic necessitated importance repurposing already approved drugs using methods. This study aimed at unveiling benefits techniques a potential alternative compounds’ drug discovery for therapy. Relevant articles from PubMed, Google Scholar, Web Science were retrieved analyzed. Furthermore, this comprehensively reviewed literature containing identified essential proteins. Notably, hesperidin, quercetin, kaempferol, myricetin, flavonoids hepatitis surface antigen (HBsAg). investigation reveals offer understanding mechanisms action, reveal previously overlooked viral targets (including PreS1 Domain HBsAg cccDNA (Covalently Closed Circular DNA) regulators, facilitate creation specific inhibitors. integration silico, vitro, vivo insights further highlight Moreover, combination compounds, approach, improves chances personalized precision medicine treatment. Therefore, we recommend strategies combine vivo, approaches to effective drugs.

Language: Английский

A review of molecular interplay between inflammation and cancer: The role of lncRNAs in pathogenesis and therapeutic potential

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: unknown, P. 142824 - 142824

Published: April 1, 2025

Language: Английский