Structure-based derivation and intramolecular cyclization of peptide inhibitors from PD-1/PD-L1 complex interface as immune checkpoint blockade for breast cancer …

K Zhou, J Lu, X Yin, H Xu, L Li, B Ma - Biophysical chemistry, 2019 - Elsevier
The interaction event between programmed death receptor-1 (PD-1) and its ligand (PD-L1)
functions as an essential immune checkpoint against cytotoxic T effector cell activation …

Discovery of cyclic peptide inhibitors targeting PD-L1 for cancer immunotherapy

J Fetse, Z Zhao, H Liu, UF Mamani… - Journal of medicinal …, 2022 - ACS Publications
Blockade of the interaction between programmed cell death ligand-1 (PD-L1) and its
receptor PD-1 has shown great success in cancer immunotherapy. Peptides possess unique …

PD-1-targeted discovery of peptide inhibitors by virtual screening, molecular dynamics simulation, and surface plasmon resonance

Y Wang, H Guo, Z Feng, S Wang, Y Wang, Q He, G Li… - Molecules, 2019 - mdpi.com
The blockade of the programmed cell death protein 1/programmed cell death ligand 1 (PD-
1/PD-L1) pathway plays a critical role in cancer immunotherapy by reducing the immune …

Design and evaluation of α-helix-based peptide inhibitors for blocking PD-1/PD-L1 interaction

M Rui, W Zhang, K Mi, H Ni, W Ji, X Yu, J Qin… - International Journal of …, 2023 - Elsevier
The current research in tumor immunotherapy indicates that blocking the protein-protein
interaction (PPI) between PD-1 and its ligand, PD-L1, may be one of the most effective …

Recruiting monomer for dimer formation: resolving the antagonistic mechanisms of novel immune check point inhibitors against programmed death ligand-1 in cancer …

OS Soremekun, FA Olotu, C Agoni… - Molecular …, 2019 - Taylor & Francis
The design of small molecule antagonists against Programmed Death Ligand-1 (PD-L1) has
been the recent highlight of the immune checkpoint blockade therapy. This interventive …

PD-L1 inhibitors: different classes, activities, and mechanisms of action

E Surmiak, K Magiera-Mularz, B Musielak… - International Journal of …, 2021 - mdpi.com
Targeting the programmed cell death protein 1/programmed cell death 1 ligand 1 (PD-1/PD-
L1) interaction has become an established strategy for cancer immunotherapy. Although …

Understanding the structural and energetic basis of PD-1 and monoclonal antibodies bound to PD-L1: A molecular modeling perspective

D Shi, S Zhou, X Liu, C Zhao, H Liu, X Yao - Biochimica et Biophysica Acta …, 2018 - Elsevier
Background The inhibitors blocking the interaction between programmed cell death protein
1 (PD-1) and programmed death-ligand 1 (PD-L1) can activate the immune response of T …

Molecular dynamics simulations elucidate conformational selection and induced fit mechanisms in the binding of PD-1 and PD-L1

W Liu, B Huang, Y Kuang, G Liu - Molecular BioSystems, 2017 - pubs.rsc.org
Blockage of the interactions between immunologic checkpoint protein PD-1 and its ligand
PD-L1 showed efficacy for cancer treatment. X-ray structures have captured static …

[HTML][HTML] Peptide-based inhibitors targeting the PD-1/PD-L1 axis: potential immunotherapeutics for cancer

M Bojko, K Węgrzyn, E Sikorska, P Ciura, C Battin… - Translational …, 2024 - Elsevier
Abstract The PD-1/PD-L1 complex belongs to the group of inhibitory immune checkpoints
and plays a critical role in immune regulation. The PD-1/PD-L1 axis is also responsible for …

Investigating the role of the N-terminal loop of PD-1 in binding process between PD-1 and nivolumab via molecular dynamics simulation

W Liu, H Jin, T Chen, G Zhang, S Lai… - Frontiers in Molecular …, 2020 - frontiersin.org
The blockade of immune checkpoints, such as programmed death receptor 1 (PD-1) and
programmed death ligand 1 protein (PD-L1), is a promising therapeutic approach in cancer …