Physical chemistry chemical physics : PCCPB7-H1 AntigenMolecular Dynamics SimulationProgrammed Cell Death 1 ReceptorHumansSmall Molecule Libraries
Molecular dynamics reveals novel small-molecule inhibitors block PD-1/PD-L1 by promoting PD-L1 dimer stability.
Shuhan Li, Danyang Xiong, Vladimir V Klochkov, Ilya A Khodov, Xiao He
Published: 202510.1039/d5cp03584h
Abstract
In the field of cancer immunotherapy, the development of small-molecule inhibitors targeting the PD-1/PD-L1 signaling pathway has emerged as a pivotal research direction to overcome the clinical limitations of current antibody-based therapeutics. Bas…
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