Y. Indra Neela

Significance of BCR-ABL P-loop point mutations (L248R/V) on binding to FDA approved drugs: molecular dynamics simulations and DFT studies

The BCR-ABL fusion protein with dysregulated tyrosine kinase activity is the cause of chronic myelogenous leukemia (CML). Mutations in the P-loop, gatekeeper, catalytic and activation loop, within its kinase domain leads to drug resistance while treating CML. The mutation driven...