Figure 1 - available via license: Creative Commons Attribution 4.0 International
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Molecular docking interactions of the ligand melatonin (in green) in the active binding sites of the adrenoceptors visualized from UCSF Chimera1.15. Tridimensional structures of the adrenergic receptors 6kux in purple (A) and 6kuy in pink (B).
Source publication
The pineal melatonin (N-acetyl-5-methoxytryptamine) is a molecule associated in a way or another with probably all physiological systems, aiming to fulfil its functional integrative roles in central nervous system activity, sleep and wakefulness cycles, energy metabolism and thermoregulation, immune, reproductive, endocrine, cardiovascular, respira...
Contexts in source publication
Context 1
... molecular docking interactions of the ligand melatonin in the active binding sites of the adrenergic receptor proteins were visualized from UCSF Chimera1.15 (Huang et al., 2014). ...
Context 2
... internal energy of -0.35 and un-bound energy of -0.44 kcal/mol were similar for both the receptors tested. As shown in Figure 1A and B, the ligand melatonin directly targeted at the active binding sites of the adrenergic receptor proteins analyzed, as defined in the AutoGrid box for both complexes. ...
Context 3
... adrenoceptors were predicted as potential target receptors to the ligand melatonin under these experimental conditions, revealing lowest binding energy values and structural stability by hydrophobic and hydrogen bonding interactions (Figures 1 and 2). Binding energy characterizes as the sum of the favorable and unfavorable values for the formation of a proteinligand complex (Guimarães, 2012). ...
