- |||||||||| Paxlovid (PF-07321332) / Pfizer
Journal: Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease. (Pubmed Central) - Dec 16, 2021 When the catalytic dyad is in the neutral state, the non-covalent binding is likely to be stronger. Molecular dynamics simulations seems to lend support for an inhibitory mechanism in two steps: a first non-covalent addition with the dyad in neutral form and then the formation of the thiolate-imidazolium ion pair and the ligand relocation for finalising the electrophilic attack.
- |||||||||| Trial completion date, Trial primary completion date: RECOVERY: Randomised Evaluation of COVID-19 Therapy (clinicaltrials.gov) - Dec 16, 2021
P2/3, N=45000, Recruiting, Molecular dynamics simulations seems to lend support for an inhibitory mechanism in two steps: a first non-covalent addition with the dyad in neutral form and then the formation of the thiolate-imidazolium ion pair and the ligand relocation for finalising the electrophilic attack. Trial completion date: Dec 2031 --> Nov 2032 | Trial primary completion date: Dec 2021 --> Nov 2022
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