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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. © 2022. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.


Seref Gul, Ibrahim Halil Kavakli. The Structure-Based Molecular-Docking Screen Against Core Clock Proteins to Identify Small Molecules to Modulate the Circadian Clock. Methods in molecular biology (Clifton, N.J.). 2022;2482:15-34

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PMID: 35610417

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