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Interaction between SARS-CoV-2 spike glycoprotein and human skin models: a molecular dynamics study
1Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus de la UAB, E-08193 Bellaterra, Barcelona, Spain. jfaraudo@icmab.es.
Soft Matter
|October 6, 2021
Summary
The SARS-CoV-2 spike protein interacts with human skin lipids, particularly ceramides on clean skin. On oily skin, the spike protein maintains its structure and hydration, showing surface properties influence virus-skin interactions.
Area of Science:
- Biophysics
- Virology
- Materials Science
Background:
- Indirect transmission of respiratory viruses, including coronaviruses, can occur through skin contamination.
- The SARS-CoV-2 spike glycoprotein mediates virus-surface interactions, but its behavior on human skin is not well understood.
Purpose of the Study:
- To investigate the physico-chemical interactions between the SARS-CoV-2 spike glycoprotein and human skin models using all-atom simulations.
- To compare virus-skin interactions on "oily" skin (with sebum) and "clean" skin (stratum corneum).
Main Methods:
- All-atom molecular dynamics simulations were employed.
- Simulations involved the SARS-CoV-2 spike glycoprotein and models of "oily" and "clean" human skin.
- Interactions with skin lipids, including ceramides and sebum, were analyzed.
Main Results:
- The SARS-CoV-2 spike protein maximizes contact with stratum corneum lipids, forming substantial hydrogen bonds on clean skin.
- On oily skin, the spike protein maintains its structure, orientation, and hydration, with minimal interaction with sebum components.
- Surface properties (soft vs. hard) significantly influence spike protein interactions.
Conclusions:
- The nature of the skin surface (lipid composition and physical properties) is critical for SARS-CoV-2 spike protein interaction.
- Understanding these interactions can inform strategies to mitigate virus transmission via skin contact.
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