Related Experiment Video
Updated: Mar 25, 2026

Preparation and Delivery of Protein Microcrystals in Lipidic Cubic Phase for Serial Femtosecond Crystallography
Published on: September 20, 2016
μ Opioid receptor: novel antagonists and structural modeling
Teresa Kaserer1, Aquilino Lantero2, Helmut Schmidhammer2
1Computer-Aided Molecular Design Group, Department of Pharmaceutical Chemistry, Institute of Pharmacy and Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria.
Researchers identified novel drug candidates targeting the micro opioid receptor (MOR). Using computational methods and virtual screening, they discovered compounds that may serve as tools for studying MOR or as potential therapeutics.
Area of Science:
- Pharmacology
- Computational Chemistry
- Neuroscience
Background:
- The micro opioid receptor (MOR) is a key target for opioid drugs, yet its ligand-receptor interactions and structure-function relationships remain incompletely understood.
- Understanding these interactions is crucial for developing targeted therapies and neurochemical tools.
Purpose of the Study:
- To discover novel agonists and antagonists for the micro opioid receptor (MOR) using virtual screening.
- To identify key molecular interactions differentiating MOR agonists and antagonists.
- To validate in silico workflows for prospective drug discovery.
Main Methods:
- Utilized virtual screening tools including docking, pharmacophore, and shape-based modeling.
- Employed the resolved crystal structure of the β-funaltrexamine-MOR complex.
- Conducted in vitro pharmacological assays on virtual screening hits.
Main Results:
- Identified important molecular interactions governing ligand binding to MOR.
- Discovered novel chemotypes with potential MOR antagonist activity.
- One compound significantly inhibited morphine-induced antinociception in vitro.
Conclusions:
- The developed in silico workflows are effective for identifying MOR-targeting compounds.
- The newly identified chemotypes show promise for developing neurochemical tools or therapeutic lead candidates for MOR-related conditions.
More Related Videos
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
07:48Tracking Drug-induced Changes in Receptor Post-internalization Trafficking by Colocalizational Analysis
Published on: July 3, 2015
Related Concept Videos
Opioid Receptors: Overview
Drug-Receptor Interaction: Agonist
Agonists can bind to receptors in different ways. Some agonists bind directly to the receptor's active site, mimicking the endogenous...
Analgesia and Pain Management
Drug-Receptor Interaction: Antagonist
Antagonists can be classified as competitive or noncompetitive based on their...
The Two-State Receptor Model
The binding affinity of a drug determines its interaction with...
Adrenergic Agonists: Chemistry and Structure-Activity Relationship
Aromatic ring substitutions: Substituting the aromatic ring with –OH groups at positions 3 and 4 yields catecholamines (e.g., epinephrine), which have a high affinity for adrenoceptors. Hydrogen bonding between –OH groups and receptors enhances adrenergic activity.
Separation of...