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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
In silico design of telomerase inhibitors
Maciej Baginski1, Katarzyna Serbakowska1
1Department of Pharmaceutical Technology and Biochemistry, Faculty of Chemistry, Gdansk University of Technology, 80-233 Gdansk, Poland.
Abstract:
Telomerase is a reverse transcriptase enzyme involved in DNA synthesis at the end of linear chromosomes. Unlike in most other cells, telomerase is reactivated most cancerous cells and, therefore, has become a promising new anticancer target. Despite extensive research, direct telomerase inhibitors have yet not been introduced to the clinics because of the complexity of this enzyme. Structures of this protein from simple organisms and human homology models are currently available and have been used in structure-based drug design efforts to find potential inhibitors. Different is silico strategies have been applied and different chemical groups have been explored. Here, we provide an overview of recent discoveries.
Insights
Telomerase, an enzyme reactivated in cancer cells, is a promising anticancer target. Despite challenges, ongoing research explores novel telomerase inhibitors using structural data and computational methods.
Area of Science:
- Biochemistry
- Molecular Biology
- Oncology
Background:
- Telomerase is a key enzyme in DNA synthesis, crucial for maintaining chromosome ends.
- Its reactivation in most cancer cells makes it a significant target for anticancer therapies.
- Direct telomerase inhibitors face development hurdles due to enzyme complexity.
Purpose of the Study:
- To provide an overview of recent discoveries in telomerase inhibitor research.
- To highlight structure-based drug design strategies targeting telomerase.
- To explore various in silico approaches and chemical entities for inhibitor development.
Main Methods:
- Utilizing available protein structures from simple organisms and human homology models.
- Applying structure-based drug design principles.
- Employing diverse in silico strategies and exploring various chemical groups.
Main Results:
- Identification of potential inhibitor scaffolds through computational screening.
- Exploration of diverse chemical moieties for telomerase inhibition.
- Advancements in understanding telomerase structure-function relationships for drug design.
Conclusions:
- Telomerase remains a critical target for cancer therapy development.
- Structure-based drug design and in silico methods are vital for discovering novel inhibitors.
- Despite complexities, progress continues in identifying potential clinical candidates.
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