Targeting MERTK tyrosine kinase: Virtual screening and molecular dynamics insights for anti-cancer drug development.

ABSTRACT: Global public health facing serious challenges due to the incidence of cancer and the growth of treatment resistance. Mer-tyrosine kinase plays a crucial role in cell biology and correlated with many cancers such as Epithelial ovarian cancer, liver cancer, breast cancer, Metastatic melanoma, and Acute myeloid leukemia (AML). Hence the identification of novel drug for MERTK protein is extreme important. In this research, we used computational techniques, molecular operating environment (MOE 2015) for virtual screening with drug like natural compounds library. We used known compound UNC2025 as positive control and one million compounds was retrieved from different databases (OTAVA, ZINC, ChEMBL) and docked with MERTK protein. Out of million compounds the 4 top hit inhibitors chosen from dock

SUBMITTER: Kifayat K 

PROVIDER: S-EPMC12574917 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature