• Interplay between dysregulated micrornas and pharmacological outcomes in prostate cancer: a molecular docking and bioinformatics approach
  • Farzaneh Ramezani Hombari,1,*
    1. Shahid Beheshti University of Medical Sciences, Health Science and Technology Park, West Second Floor, Genomics Research Laboratory


  • Introduction: Background: Prostate cancer (Pca) is among the most prevalent malignancies in men, with dysregulated microRNAs (miRNAs) critically influencing signaling pathways and therapeutic responses. Understanding drug-target interactions and their relationship with miRNA-mediated resistance is essential for precision medicine. Objective: This study aims to predict the molecular interactions between standard anti-Pca drugs and their protein targets through molecular docking and integrate these findings with miRNA-regulated signaling pathways
  • Methods: Docking was performed using AutoDock Vina for drugs (Enzalutamide, Abiraterone, Alpelisib) against androgen receptor (AR) and PI3K targets (PDB Ids: 1E3G, 4FA6). Ligands were retrieved from PubChem and optimized in Open Babel. Hydrogen bonds and binding energy were analyzed via PyMOL and Discovery Studio. miRNA-pathway associations were mapped using KEGG and miRBase
  • Results: Enzalutamide exhibited the strongest binding affinity with AR (-11.2 kcal/mol), while Alpelisib demonstrated high affinity with PI3K (-10.5 kcal/mol). miRNA analysis revealed that overexpression of miR-21 and miR-221 activates AR and PI3K pathways, contributing to resistance, whereas miR-34a downregulation enhances PI3K signaling
  • Conclusion: Integrating docking analysis with miRNA profiling provides valuable insight into drug selection and resistance prediction in Pca therapy. This approach supports the development of personalized treatment strategies
  • Keywords: microRNA, Prostate Cancer, Molecular Docking, Drug Resistance