Impact of IDH Mutations on Ligand Unbinding: Insights from Steered Molecular Dynamics
Mutations in IDH1 and IDH2 disrupt AKG binding and alter the stability, which may contribute to the pathological accumulation of 2-HG. These findings provide molecular insights into the oncogenic effects of IDH mutations and may aid in the development of targeted therapeutic strategies to inhibit mutant enzyme activity in cancer.
Authors
- M. Elizabeth Sobhia
- Alka Singh (ORCID: https://orcid.org/0000-0002-3317-8038)
- Sonia Kumari (ORCID: https://orcid.org/0000-0001-7187-1768)
Institutions
- National Institute of Pharmaceutical Education and Research (IN)
- National Institute of Pharmaceutical Education and Research (IN)
Publication Details
- Journal
- Current Topics in Medicinal Chemistry
- Published
- 2025-07-24
- DOI
- https://doi.org/10.2174/0115680266358471250714090015
- Primary Topic
- Enzyme Structure and Function
- Type
- article
- Field-Weighted Citation Impact
- 0.00