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Related Concept Videos

Ligand Binding Sites02:40

Ligand Binding Sites

Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
Protein-Drug Binding: Mechanism and Kinetics01:16

Protein-Drug Binding: Mechanism and Kinetics

Protein-drug binding refers to the interaction between drugs and proteins within the body. This binding process can occur intracellularly, involving drug interactions with enzymes or receptors within cells, or extracellularly, involving plasma proteins in the blood.
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
Protein-Drug Binding: Determination Methods01:22

Protein-Drug Binding: Determination Methods

Determining protein-drug binding can be achieved through indirect and direct methods, each providing valuable insights into the interaction between proteins and drugs.
Indirect methods involve isolating the bound drug from its free form in biological samples such as blood, serum, or plasma. These techniques aim to measure the percentage of drugs bound to proteins. Equilibrium dialysis is a commonly used method where the free drug concentration at equilibrium is measured by separating the bound...

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Related Experiment Video

Updated: May 22, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

First-in-class small molecule ROBO2 binders identified through integrated virtual screening and biophysical

Kirti Upmanyu1, Hossam Nada1, Moustafa T Gabr1

  • 1Department of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, NY, 10065, USA.

Archives of Biochemistry and Biophysics
|May 20, 2026
PubMed
Summary

Researchers identified two small molecules that bind to ROBO2, a protein involved in glioblastoma (GBM) progression. This discovery offers a foundation for developing new GBM therapeutics targeting ROBO2 signaling pathways.

Keywords:
GlioblastomaMicroscale thermophoresis (MST)ROBO2Small moleculesVirtual screening

Related Experiment Videos

Last Updated: May 22, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

Area of Science:

  • Oncology
  • Molecular Biology
  • Drug Discovery

Background:

  • Roundabout homolog 2 (ROBO2) is a transmembrane receptor implicated in glioblastoma (GBM) progression.
  • Increased ROBO2 expression in GBM promotes tumor cell migration, invasion, and an immunosuppressive microenvironment via Slit2-ROBO2 signaling.
  • No small-molecule modulators targeting ROBO2 have been previously reported.

Purpose of the Study:

  • To identify and validate small-molecule modulators of ROBO2 for potential glioblastoma therapeutics.
  • To establish a screening pipeline for ROBO2-targeted small molecules.

Main Methods:

  • Structure-based virtual screening of compounds targeting ROBO2.
  • Experimental validation using Dianthus TRIC platform and microscale thermophoresis (MST).
  • Molecular docking to analyze binding interactions and identify key residues.

Main Results:

  • Two small molecules, Z1334432986 and Z1692774161, demonstrated reproducible concentration-dependent binding to ROBO2.
  • Dissociation constants (Kd) were determined to be 41±5 μM and 26±17 μM, respectively.
  • Molecular docking revealed a conserved ROBO2 binding pocket and distinct ligand conformations.

Conclusions:

  • This study successfully identified novel small molecules that bind to ROBO2.
  • The findings lay the groundwork for developing therapeutics to disrupt Slit-ROBO2 signaling in glioblastoma.
  • A validated screening pipeline for ROBO2 modulators has been established.