Frontispiz: Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein

Deborah K Shoemark; Charlotte K Colenso; Christine Toelzer; Kapil Gupta; Richard B Sessions; Andrew D Davidson; Imre Berger; Christiane Schaffitzel; James Spencer; Adrian J Mulholland

doi:10.1002/ange.202181362

Frontispiz: Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS-CoV-2 Spike Protein

Angew Chem Weinheim Bergstr Ger. 2021 Mar 22;133(13):10.1002/ange.202181362. doi: 10.1002/ange.202181362. Epub 2021 Mar 15.

Authors

Deborah K Shoemark^{1

2}, Charlotte K Colenso³, Christine Toelzer^{1

2}, Kapil Gupta^{1

2}, Richard B Sessions¹, Andrew D Davidson³, Imre Berger^{1

2

4

5}, Christiane Schaffitzel^{1

2}, James Spencer³, Adrian J Mulholland⁵

Affiliations

¹ School of Biochemistry University of Bristol 1 Tankard's Close Bristol BS8 1TD UK.
² Bristol Synthetic Biology Centre BrisSynBio 24 Tyndall Ave Bristol BS8 1TQ UK.
³ School of Cellular and Molecular Medicine, Biomedical Sciences Building University of Bristol Bristol BS8 1TD UK.
⁴ Max Planck Bristol Centre for Minimal Biology Cantock's Close Bristol BS8 1TS UK.
⁵ School of Chemistry University of Bristol Bristol BS8 1TS UK.

Abstract

Wirkstoff‐Docking Die Bindung von Linoleat und anderen potenziellen Liganden in die kürzlich entdeckte Fettsäure‐Bindestelle im Spike‐Protein von SARS‐CoV‐2 untersuchen James Spencer, Adrian J. Mulholland et al. in dem Forschungsartikel auf S. 7174.

Keywords: SARS-CoV-2 spike fatty-acid-site; molecular modeling; retinoids; steroids; vitamins.

Grants and funding

BB/L01386X/1/BB_/Biotechnology and Biological Sciences Research Council/United Kingdom