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Old 11th November 2021, 03:25 PM   #313
Chris_Halkides
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lead compounds

The authors of the paper "Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents" stated, "The calculated IC50 values for ivermectin, tipranavir, boceprevir, micafungin, paritaprevir, and ombitasvir were found to be 21.5, 27.7, 31.4, 47.6, 73.4, and 75.5 µM, respectively (Table 2). Taken together, these studies suggest that the molecules listed above exhibited inhibitory activity against 3CLpro enzyme of SARS-CoV-2."

IC50 values can be converted into dissociation constants if one knows the type of inhibition, competitive, uncompetitive, or noncompetitive. A dissociation constant is simply the inverse of an association constant. But for argument's sake, let us assume that the dissociation constant for ivermectin is 10 µM (10 micro molar) and that all the compounds bind in a reversible manner. That sounds like what I would expect of a hit or a lead compound, not a compound that is actually a drug. "Whatever the screening paradigm, the output of the hit discovery phase of a lead identification programme is a so-called ‘hit’ molecule, typically with a potency of 100 nM–5 µM at the drug target. A chemistry programme is initiated to improve the potency of this molecule." link
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