Related Experiment Video
Updated: Sep 23, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Interactions between HIV protease inhibitor ritonavir and human DNA repair enzyme ALKBH2: a molecular dynamics
Unnikrishnan Paruthiyezhath Shaji1, Nikhil Tuti1, Susmita Das1
1Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi Sanga Reddy, Telangana, 502284, India.
Abstract:
The human DNA repair enzyme AlkB homologue-2 (ALKBH2) repairs methyl adducts from genomic DNA. Overexpression of ALKBH2 has been implicated in both tumorigenesis and chemotherapy resistance in some cancers, including glioblastoma and renal cancer rendering it a potential therapeutic target and a diagnostic marker. However, no inhibitor is available against these important DNA repair proteins. Intending to repurpose a drug as an inhibitor of ALKBH2, we performed in silico evaluation of HIV protease inhibitors and identified Ritonavir as an ALKBH2-interacting molecule. Using molecular dynamics simulation, we elucidated the molecular details of Ritonavir-ALKBH2 interaction. The present work highlights that Ritonavir might be used to target the ALKBH2-mediated DNA alkylation repair.
Related Concept Videos
Homologous Recombination
DNA Damage can Stall the Cell Cycle
Overview of DNA Repair
Chemically...
Retrovirus Life Cycles
Fixing Double-strand Breaks

