Computer-Aided Identification and Design of Ligands for Multi-Targeting Inhibition of a Molecular Acute Myeloid Leukemia Network.

ABSTRACT:

Background/objectives

Acute myeloid leukemia (AML) is characterized by therapeutic failure and long-term risk for disease relapses. As several therapeutic targets participate in networks, they can rewire to eventually evade single-target drugs. Hence, multi-targeting approaches are considered on the expectation that interference with many different components could synergistically hinder activation of alternative pathways and demolish the network one-off, leading to complete disease remission.

Methods

Herein, we established a network-based, computer-aided approach for the rational design of drug combinations and de novo agents that interact with many AML network components simultaneously.

Results

A reconstructed AML network guided the selection of suitable protein hub

SUBMITTER: Asfa SS 

PROVIDER: S-EPMC11544916 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature