A hinge motif unveils the cryptic structural determinants of selective inhibitors towards PI3Kα and VPS34
Selectivity patterns between PI3Kα and VPS34 were figured out via multiple in silico strategies. Residues for PI3Kα selectivity were VAL851, SER854, and GLN859, and that for VPS34 was ILE685.
Authors
- Na Duan (ORCID: https://orcid.org/0009-0008-2176-4188)
- Baichun Hu (ORCID: https://orcid.org/0000-0001-8959-6979)
- Huibin Wang (ORCID: https://orcid.org/0000-0002-0020-7197)
- Shuyang Shi (ORCID: https://orcid.org/0000-0001-9262-0060)
Institutions
- Shenyang Pharmaceutical University (CN)
- Liaoning Provincial People's Hospital (CN)
- The University of Tokyo (JP)
- China Medical University (CN)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj00498e
- Primary Topic
- PI3K/AKT/mTOR signaling in cancer
- Type
- article
- Field-Weighted Citation Impact
- 0.00