The researcher Kamil Makowski, from the Multivalent Systems for Nanomedicine research group, from IQAC-CSIC and CIBER-BBN, led by Dr. Miriam Royo, has designed the image selected to be the front cover of ChemPlusChem Journal.
The front cover shows a representation of the H2@C60 hybrid molecule with a dehydroepiandrosterone moiety interacting with the active site of the SARS-CoV-2. The authors got the idea for the cover picture from the interaction of the endohedral fullerene ligand with SARS-CoV-2 enzymes. The cover was designed by Dr. Kamil Makowski, following the ideas of some team members.
The most significant result of this study is the design and synthesis of a new molecular syste, in which an endofullerene of C60, incarcerating one hydrogen molecule, has been covalently connected to a dehydroepiandrosterone moiety. The new molecule introduced very interesting properties, which were studied at a theoretical DFT level and additionally docking simulations that revealed posible biological activity of this compound were carried out.
Read the full article titled An Androsterone-H2@C60 hybrid: Synthesis, Properties and Molecular Docking Simulations with SARS-Cov-2 on this link
IQAC-CSIC Communication
