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Enumeration of drug effects and binding affinities? Options
 
Jacubey
#1 Posted : 7/5/2022 11:26:20 PM
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Is there any place that one can go to see the binding affinities of a drug? If we can find that, and cross-reference it with things from the SEI (subjective effects index), maybe we can find out what receptor interactions are associated with what effects?

I know that 5HT-2a is the primary psychedelic binding receptor, but my understanding is that the various binding affinities of other sites is what causes each drugs unique effects. If that's true, maybe we can narrow some stuff down?

THH allegedly eliminates nausea from DMT, maybe we can find some overlap between the things THH inhibits and the things DMT binds to, and then have some receptor candidates for what is causing/preventing the nausea?

I think it'd be worth pulling as many research papers as we can, and recording the binding affinities down in the psychonaut wiki, along side the SEI.

Once enough data is accumulated there, perhaps a tech savvy person could write some code to aggregate and make it easy to interact with all the data. I certainly wouldn't mind working on something like that.

EDIT: I found this site, which seems to have all of the info we would need, with some exceptions (I could not find THH in here).
https://www.bindingdb.or....jsp?monomerid=50081701

If there is a decent API it may be worth trying to pull the data from here and generate tables for putting in to a wiki

EDIT2: Seems there is an API available.
https://www.bindingdb.or...BindingDBRESTfulAPI.jsp

Perhaps I have something to occupy my freetime for the next few months.
 

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ShadedSelf
#2 Posted : 7/6/2022 10:51:20 AM

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If you find a nice way to pull data from The Psychonaut Wiki should be fairly straightforward.

Here you can make queries with things like "[[Category:Psychoactive substance]] [[Effect::Visual acuity enhancement]]", you can also see the SQL query on the debug tab, not the kind of thing that I know how or like to code though, if you ever get to a point with a clean and easy way to acces the data I might be able to help with something.
 
Jacubey
#3 Posted : 7/8/2022 4:36:26 PM
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ShadedSelf wrote:
If you find a nice way to pull data from The Psychonaut Wiki should be fairly straightforward.

Here you can make queries with things like "[[Category:Psychoactive substance]] [[Effect::Visual acuity enhancement]]", you can also see the SQL query on the debug tab, not the kind of thing that I know how or like to code though, if you ever get to a point with a clean and easy way to acces the data I might be able to help with something.


Ooh very nice. It looks like all the tools are there. Just need to put everything together.


Another user, "werd" also PM'd me this: https://www.ncbi.nlm.nih...mc/articles/PMC2814854/
This might be useful to look at, since it does exactly what I'm looking to do.

Information like this I think can be more efficiently disseminated with an interactive UI. I'm imagining interactive radar/bar charts with binding affinities and whatnot, where users can select the receptor sites they'd like to examine, as well as the drugs they'd like to examine, and it would chart them against eachother with the receptor sites selected. Then also have bulleted summaries of the selected drugs' SEI.
 
 
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