Something to watch is that ACE2 is, as I understand it, not a receptor. It's a cell surface enzyme that acts on some pretty important hormones involved in blood pressure and kidney function.
So, something that binds the ACE family of proteins might run a risk of causing unintended side effects.
On the other hand, something designed to bind the viral spike proteins is probably less likely to accidentally bind those hormones, so I imagine it's a safer route for drug development. But I wouldn't know with much confidence, it's not my area. :)
On 1 April 2020 17:35:44 GMT+01:00, "Andreas "Mega" Stuermer" <andreas.t.stuermer@gmail.com> wrote:
Hi everyone -A friend asked me for a simulation to see if the drug methaqualone will bind to the SARS-entry receptor ACE2.Does anyone have a lot of experience in molecular modelling to predict binding?I feel the way I would do this would be dilletantic.Would love to hear your feedback
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Sent from my Android device with K-9 Mail. Please excuse my brevity.
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