Computational insights into synergistic mechanisms of PD-901 and 5-azacitidine targeting PTPN11 (SHP2) E76K mutation in juvenile myelomonocytic leukemia
Abeer M. Al-Subaie, Balu Kamaraj · 2026
Read Computational insights into synergistic mechanisms of PD-901 and 5-azacitidine targeting PTPN11 (SHP2) E76K mutation in juvenile myelomonocytic leukemia by Abeer M. Al-Subaie, Balu Kamaraj (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13586710.txt.
Description
Abeer Al-Subaie and Balu Kamaraj present a computational drug study, published in 2026, on a rare childhood blood cancer. Juvenile myelomonocytic leukemia is driven by overactive signals in the RAS and MAPK pathway, often through a mutation in a protein called SHP2. The team studied two existing drugs, an anticancer agent called 5-azacitidine and a pathway blocker, for how they might interact with that protein.
Using docking, molecular dynamics simulations, and energy calculations on normal and mutant forms of the protein, they found the two drugs favor different binding sites. Together they formed the most stable complex in the simulations. The authors stress the work is exploratory, a structural hint for a drug pairing already reported to help some patients.
Catalog record
| CREATOR | Abeer M. Al-Subaie, Balu Kamaraj |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 43 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |