Sorry for spamming you with replies but I keep thi
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Posted On: 04/12/2020 11:41:34 AM
Re: Rubraquercus #27036
Sorry for spamming you with replies but I keep thinking of more to add. In terms of the uphill battle. One of my favorite stories which is serendipitously related is with the discovery of HIV integrase inhibitors which are some of the main HIV treatments.
HIV integrase was a pretty common target, we knew for a long time that it would be a fruitful mechanism of action. However, everything we threw at it just didn't stick. We had all but given up on targeting this protein until someone had the brilliant idea to look at the behavior of the protein using molecular dynamics simulations. What they found that there is actually one fleeting form of the protein, a conformation or a posture, think of open arms versus closed arms. that it goes through only for a moment. But, they reasoned that if you have drug nearby, once it opens those arms, the drug will biind. And lo and behold, this worked and lead to some important antiviral HIV medications. quite a fascinating process tbh.
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3026641/
HIV integrase was a pretty common target, we knew for a long time that it would be a fruitful mechanism of action. However, everything we threw at it just didn't stick. We had all but given up on targeting this protein until someone had the brilliant idea to look at the behavior of the protein using molecular dynamics simulations. What they found that there is actually one fleeting form of the protein, a conformation or a posture, think of open arms versus closed arms. that it goes through only for a moment. But, they reasoned that if you have drug nearby, once it opens those arms, the drug will biind. And lo and behold, this worked and lead to some important antiviral HIV medications. quite a fascinating process tbh.
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3026641/
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