Exploration of Natural Products for Targeting IDH1/2 Mutations in Acute Myeloid Leukemia Through Ligand-Based Pharmacophore Screening, Docking, ADME-T, and Molecular Dynamic Simulation Approaches
This in silico study provides compelling evidence for Ternstroside D (CNP0166496) as a promising dual inhibitor for IDH1 and IDH2 mutations in AML. Furthermore, in vitro and in vivo studies are warranted to validate these findings.
Authors
- Uddalak Das (ORCID: https://orcid.org/0009-0004-0007-5691)
- Ramanathan Sowdhamini (ORCID: https://orcid.org/0000-0002-6642-2367)
- Dheemanth Reddy Regati (ORCID: https://orcid.org/0009-0002-3393-5665)
- Jitendra Kumar (ORCID: https://orcid.org/0009-0004-6449-4895)
Institutions
- Tata Institute of Fundamental Research (IN)
- Jawaharlal Nehru University (IN)
- National Centre for Biological Sciences (IN)
- University of Agricultural Sciences, Bangalore (IN)
- Institute of Bioinformatics and Applied Biotechnology (IN)
- Biotechnology Industry Research Assistance Council (IN)
- Indian Institute of Science Bangalore (IN)
Publication Details
- Journal
- Bioinformatics and Biology Insights
- Published
- 2025-12-01
- DOI
- https://doi.org/10.1177/11779322251399077
- Primary Topic
- Acute Myeloid Leukemia Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00