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this post was submitted on 22 Aug 2023
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Asklemmy
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A puzzle is a pretty good analogy for designing drug molecules. Drugs interact with proteins and enzymes much like trying to snap a puzzle piece into a puzzle. i.e lock and key model. Currently the strategy drug companies use essentially amounts to synthesizing millions of potential drug candidates in small quantities and testing for target activity. This is... horribly inefficient and it is hoped that better modeling can help cut down on either the number of candidate drugs that need to be screened and/or refine the drugs' activity to be more targeted (reduce side effects)