Abstract:
:Herein, we deploy an in silico pipeline of structural bioinformatics, thermodynamics, and molecular dynamics to investigate the role of cortisol in circadian rhythms, biorhythms, stress response, and even sleep disorders. Our study shows that high concentrations of cortisol intercalate in the minor groove of DNA. This phenomenon widens the adjacent major grooves and provides the Clock/Bmal1 complex with more space to dock and interact with DNA. Then, the strong charges of cortisol pull the alpha helices of the Clock/Bmal1 complex and bend it inward, thus establishing stronger interactions and prolonged signaling. Our results indicate that elevated cortisol levels play an important role in stress, inflammation, and sleep disorders as a result of prolonged and stronger dsDNA - Clock/Bmal1 interactions.
journal_name
Adv Exp Med Bioljournal_title
Advances in experimental medicine and biologyauthors
Raftopoulou S,Nicolaides NC,Papageorgiou L,Amfilochiou A,Zakinthinos SG,George P,Eliopoulos E,Chrousos GP,Vlachakis Ddoi
10.1007/978-3-030-32633-3_10subject
Has Abstractpub_date
2020-01-01 00:00:00pages
59-71eissn
0065-2598issn
2214-8019journal_volume
1195pub_type
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