The Structure-Based Molecular-Docking Screen Against Core Clock Proteins to Identify Small Molecules to Modulate the Circadian Clock
in: Circadian Regulation Methods and Protocols, Guiomar Solanas,Patrick -Simon Welz, Editor, Springer Nature, New York, pp.15-34, 2022
- Publication Type: Book Chapter / Chapter Research Book
- Publication Date: 2022
- Publisher: Springer Nature
- City: New York
- Page Numbers: pp.15-34
- Editors: Guiomar Solanas,Patrick -Simon Welz, Editor
- Istanbul University Affiliated: Yes
Abstract
Circadian rhythms are part of the body’s clock, which regulates several physiological and biochemical variables according to the 24-h cycle. Ample evidence indicated disturbance of the circadian clock leads to an increased susceptibility to several diseases. Therefore, a great effort has been made to find small molecules that regulate circadian rhythm by high-throughput methods. Having crystal structures of core clock proteins, makes them amenable to structure-based drug design studies. Here, we describe virtual screening methods that can be utilized for the identification of small molecules regulating the activity of core clock protein Cryptochrome 1.