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Medicine Research

Special Issue: Drug Design

• Minireview • Previous Articles     Next Articles

Recent Advances on Molecular Modeling Studies of Transient Receptor Potential Ankyrin 1

Carita Sallomy, Maija Lahtela-Kakkonen, and Juri M. Timonen*   

  1. School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, P. O. Box 1627, 70211 Kuopio, Finland
  • Received:2020-10-05 Revised:2020-11-20 Online:2021-01-20
  • Contact: juri.timonen@uef.fi (J. T.)
  • Supported by:
     

Abstract: Transient receptor potential ankyrin 1 (TRPA1) is an ion channel involved in nociception. In addition, TRPA1 activation triggers an inflammatory response, which intensifies the sensation of pain. The role of TRPA1 in pain makes it an attractive target for painkiller drug design. The research on TRPA1 antagonists and agonists has increased in recent years with the focus on discovering novel and effective TRPA1 antagonists. This minireview describes some computational drug design methods that have been applied for examining TRPA1 and its ligands. So far, three ligand binding sites have been proposed for TRPA1. The binding of various ligands into TRPA1 has been explored with molecular docking and molecular dynamics. This is the first review that con-centrates on TRPA1 computational studies.

 

Key words: TRPA1, agonist, antagonist, molecular modeling, drug design, painkiller

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