Zenodo
In-Silico Drug Repurposing Pipeline for Fibrodysplasia Ossificans Progressiva (FOP): ACVR1 Target Analysis with CuraNode
By Santiago Maroto.
Abstract
Pre-clinical in-silico screening report evaluating 43 FDA-approved molecules against the ACVR1 kinase catalytic/GS domain (mutation R206H) causing Fibrodysplasia Ossificans Progressiva. Analysis conducted using CuraNode open-science engine integrating UniProt, AlphaFold 3D coordinates, RDKit cheminformatics, pharmacophoric filtering, and PubMed literature mining. Top identified candidate: Palovarotene (score 58.2/100), followed by Propranolol and Bexarotene.
Keywords
- Heterotopic Ossification and Related Conditions
- fibrodysplasia ossificans progressiva
- ACVR1



