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Updated: Jan 20, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Re-positioning of known drugs for Pim-1 kinase target using molecular docking analysis
Housna Arrouchi1, Wiame Lakhlili1, Azeddine Ibrahimi1
1Biotechnology Laboratory (Medbiotech),BioInova Research center,Rabat Medical and Pharmacy School,Mohammed V University in Rabat,Rabat,Morroco.
Abstract:
The Concept of reusing existing drugs for new targets is gaining momentum in recent years because of cost-effectiveness as safety and toxicology data are already available. Therefore, it is of interest to re-profile known drugs against the Pim-1 kinase target using molecular docking analysis. Results show that known drugs such as nilotinib, vemurafenib, Idelalisib, and other small kinases inhibitors have high binding ability with Pim-1 kinase for consideration as potential inhibitors.
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