Molecular Modeling Studies on the Binding Mode of the PD-1/PD-L1 Complex Inhibitors.
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ABSTRACT:
SUBMITTER: Almahmoud S
PROVIDER: S-EPMC6770281 | biostudies-literature | 2019 Sep
REPOSITORIES: biostudies-literature
Publications
Molecular Modeling Studies on the Binding Mode of the PD-1/PD-L1 Complex Inhibitors.
Almahmoud Suliman S Zhong Haizhen A HA
International journal of molecular sciences 20190919 18
The programmed cell death protein 1 (PD-1)/programmed cell death ligand 1 (PD-L1) is an immune checkpoint (ICP) overexpressed in various types of tumors; thus, it has been considered as an important target for cancer therapy. To determine important residues for ligand binding, we applied molecular docking studies to PD-1/PD-L1 complex inhibitors against the PD-L1 protein. Our data revealed that the residues Tyr56, Asp122, and Lys124 play critical roles in ligand binding to the PD-L1 protein and ...[more]
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