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Expert Opin Drug Discov. 2018 Mar;13(3):241-248. doi: 10.1080/17460441.2018.1419184. Epub 2017 Dec 22.

Docking studies for melatonin receptors.

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a Department of Biochemistry and Molecular Biology IV, Faculty of Optometry , Universidad Complutense de Madrid , Madrid , Spain.
b Department of Organic Chemistry and Pharmaceutical, Faculty of Pharmacy , Ciudad Universitaria , Madrid , Spain.
c Department of Inorganic Chemistry and Bioorganic, Faculty of Pharmacy , University Complutense of Madrid , Ciudad Universitaria, Madrid , Spain.


Melatonin is a neurohormone that controls many relevant physiological processes beyond the control of circadian rhythms. Melatonin's actions are carried out by two main types of melatonin receptors; MT1 and MT2. These receptors are important, and not just because of the biological actions of its natural agonist; but also, because melatonin analogues can improve or antagonize their biological effect. Area covered: The following article describes the importance of melatonin as a biologically relevant molecule. It also defines the receptors for this substance, as well as the second messengers coupled to these receptors. Lastly, the article describes the amino acid residues involved in the docking process in both MT1 and MT2 melatonin receptors. Expert opinion: The biological actions of melatonin and their interpretations are becoming more relevant and therefore require the development of new pharmacological tools. Understanding the second messenger mechanisms involved in melatonin actions, as well as the characteristics of the docking of this molecule to MT1 and MT2 melatonin receptors, will permit the development of more selective agonists and antagonists which will help us to better understand this molecule as well to develop new therapeutic compounds.


Docking; indoleamine; melatonin; neurohormone; second messengers

[Indexed for MEDLINE]

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