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Method for Identifying Small Molecule Inhibitors of the Protein-protein Interaction Between HCN1 and TRIP8b
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A Structural Perspective on the Modulation of Protein-Protein Interactions with Small Molecules
Habibe Cansu Demirel1, Tunca Dogan1, Nurcan Tuncbag1
1Graduate School of Informatics, Department of Health Informatics, METU, Ankara, Turkey; Cancer Systems Biology Laboratory (CanSyL-METU), Ankara, Turkey.
Current Topics in Medicinal Chemistry
|June 2, 2018
Summary
Protein-Protein Interactions (PPIs) are crucial in cell functions and disease. This review covers physicochemical properties, structural prediction, and targeting strategies for PPIs, aiding drug discovery.
Area of Science:
- Biochemistry and Molecular Biology
- Drug Discovery and Development
Background:
- Protein-Protein Interactions (PPIs) are fundamental to cellular processes like signaling and epigenetic regulation.
- Dysfunctional PPIs are implicated in diseases such as cancer and neurodegenerative disorders.
- Targeting PPIs with small molecules presents a significant opportunity for therapeutic intervention.
Purpose of the Study:
- To review recent advancements in understanding and targeting PPIs.
- To detail the physicochemical properties and structural characteristics of PPI interfaces.
- To explore methods for structural prediction and modulation of PPIs.
Main Methods:
- Review of current literature on PPIs, structural biology, and drug design.
- Analysis of physicochemical properties, including binding hot spots.
- Examination of computational approaches for PPI structural prediction.
Main Results:
- Detailed physicochemical profiles of PPI interfaces, highlighting key binding sites.
- Overview of emerging structural prediction methodologies for PPIs.
- Discussion of systems biology approaches for PPI targeting, including methods for cases lacking structural data.
Conclusions:
- Understanding PPI physicochemical and structural features is vital for rational drug design.
- Advances in structural prediction and systems biology offer new avenues for modulating PPIs.
- Targeting PPIs holds significant promise for treating various diseases.
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