Small molecule antagonists of PTPmu identified by artificial intelligence-based computational screening block glioma cell migration and growth.

ABSTRACT: PTPmu (PTPμ) is a member of the receptor protein tyrosine phosphatase IIb family that participates in both homophilic cell-cell adhesion and signaling. PTPmu is proteolytically downregulated in glioblastoma generating extracellular and intracellular fragments that have oncogenic activity. The intracellular fragments, in particular, are known to accumulate in the cytoplasm and nucleus where they interact with inappropriate binding partners/substrates generating signals required for glioma cell migration and growth. Thus, interfering with these fragments is an attractive therapeutic strategy. To develop agents that target these fragments, we used the AI-based AtomNetⓇ model, a drug design and discovery tool, to virtually screen molecular libraries for compounds able to target a binding pocke

SUBMITTER: Molyneaux K 

PROVIDER: S-EPMC10370706 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature