Submission Details

JOH-UNI-44664832
Molecule(s):
CC(C)(C)N1C=CN(C(C)(C)C)C1[Au]Cl

JOH-UNI-44664832-1

CC(C)(C)N1C=CN(C(C)(C)C)C1[Au]Cl

CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

JOH-UNI-44664832-2

CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O

JOH-UNI-44664832-3

OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O

Design Rationale:

gold is thiophilic. These can be sourced from eMolecules and tested vs MPro especially as auronofin acts on covid-19 cells "Georgia State Researchers Find Rheumatoid Arthritis Drug Is Effective Against Coronavirus". News Hub. 15 April 2020. Retrieved 15 April 2020.

Other Notes:

Not really related to the fragments but a different warhead approach. Note: I wasn't able to submit: C(C(C(=O)O[Na])S[Au])C(=O)O[Na].O Sodium aurothiomalate hydrate

Inspired By:
Discussion:

Contributor: John SPENCER, University of Sussex - Thu, 30 Apr 2020 11:21:27 +0000