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17β-estradiol (E2) in membranes: Orientation and dynamic properties
Jason J Guo1, De-Ping Yang2, Xiaoyu Tian1
1Center for Drug Discovery, Department of Pharmaceutical Sciences, Northeastern University, 360 Huntington Avenue, Boston, MA 02115-5000, USA; Department of Chemistry and Chemical Biology, Northeastern University, 360 Huntington Avenue, Boston, MA 02115-5000, USA.
Biochimica Et Biophysica Acta
|November 27, 2015
Summary
Estrogen
Area of Science:
- Membrane Biophysics
- Molecular Pharmacology
Background:
- Non-genomic membrane effects of estrogens are crucial for diverse biological activities.
- Understanding estrogen-membrane interactions is key to elucidating these effects.
Purpose of the Study:
- To determine the orientation, location, and dynamics of 17β-estradiol (E2) in phospholipid bilayers.
- To elucidate the molecular interactions between E2 and membrane bilayers.
Main Methods:
- Utilized deuterium NMR ((2)H-NMR) and 2D (1)H-(13)C HSQC.
- Employed molecular dynamics simulations.
- Synthesized six selectively deuterated E2 molecules for precise spectral assignments.
Main Results:
- E2 adopts a near-horizontal orientation within the membrane bilayer.
- The E2 molecule is situated near the membrane interface.
- Both 3-OH and 17β-OH groups engage in polar interactions with phospholipids.
Conclusions:
- E2's orientation and location facilitate interactions with the membrane interface.
- The study reveals asymmetric dynamic motions of E2 in the membrane.
- Findings enhance understanding of estrogen-membrane molecular interactions.
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