Submission Details
Molecule(s):
O=C1C2C=CC=CC2[Se]N1c1cc(O)cc(O)c1
O=C1C2C=CC=CC2[Se]N1c1ccc(F)cc1
NC(=O)c1cccc(N2[Se]C3C=CC=CC3C2=O)c1
NC(=O)c1ccc(N2[Se]C3C=CC=CC3C2=O)cc1
O=C1C2C=CC=CC2[Se]N1CCO
CC(C)(CO)N1[Se]C2C=CC=CC2C1=O
O=C1C2C=CC=CC2[Se]N1c1cccc2ccccc12
O=C1C2C=CC=CC2[Se]N1c1ccc2ccccc2c1
NS(=O)(=O)c1ccc2c(N3[Se]C4C=CC=CC4C3=O)cccc2c1
NS(=O)(=O)c1ccc2ccc(N3[Se]C4C=CC=CC4C3=O)cc2c1
NS(=O)(=O)c1ccc(N2[Se]C3C=CC=CC3C2=O)cc1
NS(=O)(=O)c1cccc(N2[Se]C3C=CC=CC3C2=O)c1
Design Rationale:
The drawn oragnoselenium compound is an analogue of the antioxidant glutathione peroxidase mimetic, ebselen. Ebselen is in clinical trials as a potent catalytic antioxidant. From previous studies, ebselen is known to inhibit helicase related to hepatitis C virus. It is also known capsid inhibitor of HIV replication. Recently, a report appeared in Biorxiv on the descovery of viral inhibitors, which mentions the target of SARS-CoV-2 that covalently binds to a catalytic dyad in COVID-19 virus Mpro. In this regard, the analogues of ebselen may be effective. Structures are also proposed by visual understanding.
Other Notes:
I am a medicinal, bioinorganic and biomimetic chemist, working in the area of antioxidant chemistry, biofilms, and nanomaterials. I have an exprience in synthesizing organoselenium compounds.