MOHAMMAD ABOHASSAN, MESFER MOHAMMAD AL SHAHRANI, SARAH KHALED ALOUDA, PRASANNA RAJAGOPALAN*
Oncology Research, Vol.33, No.3, pp. 675-685, 2025, DOI:10.32604/or.2024.056256
- 28 February 2025
Abstract Background: The JAK2V617F mutation plays a crucial part in the pathogenesis of myeloproliferative neoplasms (MPN), which includes polycythemia vera (PV), essential thrombocythemia (ET), and primary myelofibrosis (PMF) leading to aberrant proliferation and survival of hematopoietic cells. Alongside the challenges of drug resistance and side effects, identifying novel compounds that selectively target JAK2V617F could provide more effective and safer therapeutic options for patients with MPNs. Materials and Methods: We employed computational approaches like high-throughput virtual screening, molecular dynamics simulations (MDS), and binding free energy calculations to identify inhibitors targeting wild and mutant JAK2 kinases. JAK2V617F positive HEL, wild… More >