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Protein-protein Interfaces

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...

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Updated: Sep 9, 2025

Identifying PD-1/PD-L1 Inhibitors with Surface Plasmon Resonance Technology

Identifying PD-1/PD-L1 Inhibitors with Surface Plasmon Resonance Technology

Published on: May 2, 2025

Identification of Small Molecule Inhibitors Targeting PD-L1 Protein Using Computational Tools and an Experimental

Shymaa Damfo^1,2, Almohanad A Alkayyal³, Ahmad Bakur Mahmoud^4,5

¹Department of Pharmacognosy and Pharmaceutical Chemistry, College of Pharmacy, Taibah University, Madinah, Kingdom of Saudi Arabia.

Anticancer Research

|August 28, 2025

Summary

Researchers identified four novel small-molecule inhibitors targeting the PD-1/PD-L1 pathway. These compounds show promise as immune checkpoint inhibitors for cancer therapy, addressing limitations of current treatments.

Keywords:

PD-L1 inhibitor cancer therapy immune checkpoint small molecule

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Using 22C3 Anti-PD-L1 Antibody Concentrate on Biopsy and Cytology Samples from Non-small Cell Lung Cancer Patients

Using 22C3 Anti-PD-L1 Antibody Concentrate on Biopsy and Cytology Samples from Non-small Cell Lung Cancer Patients

Published on: September 25, 2018

Area of Science:

Oncology
Immunotherapy
Medicinal Chemistry

Background:

Research into Programmed Death-Ligand 1 (PD-L1) is crucial for developing novel small-molecule anti-cancer drugs.
Existing chemical compounds targeting PD-1/PD-L1 have lower efficacy compared to monoclonal antibodies.
There is a significant need for new, effective small-molecule inhibitors of the PD-1/PD-L1 interaction.

Purpose of the Study:

To identify and characterize novel small-molecule inhibitors targeting the PD-1/PD-L1 pathway.
To discover compounds with potential as immune checkpoint inhibitors.
To advance therapeutic strategies in oncology.

Main Methods:

Screening of 1,900 compounds against the PD-L1 target using the ICM program.
Virtual characterization of high-affinity binders using SwissADME.
In vitro evaluation of PD-L1/PD-1 inhibitory activity using ELISA assays.

Main Results:

Four compounds (Compound 3; X86577, Compound 4; X02079, Compound 6; X53550, and Compound 9; X14474) demonstrated significant inhibition of the PD-L1/PD-1 interaction.
Inhibitory activity was comparable to a neutralizing anti-PD-1 antibody.
Identification of promising small-molecule candidates for further development.

Conclusions:

The study successfully identified optimized small-molecule inhibitors for the PD-1/PD-L1 pathway.
These compounds hold potential as effective immune checkpoint inhibitors.
The findings offer valuable insights for addressing unmet medical needs in cancer treatment.