Of course it is not good for athletes to use doping drugs. However, there are also controlled substances in cold medicines and herbal teas, so it is hard to be careful.
The development of drugs itself is important because there are people who are suffering from it.
Also, the term “doping drug” is simply used, but it can be roughly classified into five categories.
| 交感神経β受容体遮断薬 | BETA-BLOCKERS | β |
| 興奮剤 | STIMULANTS | S |
| 利尿薬 | DIURETICS | D |
| ステロイド | Steroids | H |
| 麻(酔)薬,催眠剤 | NARCOTICS | N |
So where does Trimetazidine fit in?
This drug was registered as a stimulant around 2014, but was later downgraded to a cardiac metabolic regulator. It is now commonly used for angina, especially in Russia, where it can be purchased without a prescription, but it remains a banned drug.
I’ll leave the pros and cons to the experts, but let’s use Hansen’s solubility parameter (HSP) to think about drug effects. Let’s see if compounds with similar HSP can be used to dissolve in organs with similar HSP.
First, download a PDF file called “Drug Classifications for Selecting Similar Drugs” and collect drugs similar to Trimetazidine.
If you have the structural formula of SMILES, you can estimate various physical properties by using Y-MB function of HSPiP. Here, I used Y-MB(2021).
The next step is to download the list of doping controlled substances from the Internet and collect the structural formula of their Smiles. And do the same calculation with Y-MB.
Using SOM (Self-Organizing Map), the multi-dimensional vectors of HSP are reduced to two dimensions to find out what compounds are in the vicinity of Trimetazidine (TMZD).
First, read in the data and press the Strat button.
When the movement stops, press the Stop button.
It is complicated to see the data by name, so switch the label display.
The graph will never be exactly the same because of the use of random numbers, but the rough relative positions will be kept.
Steroids (H), stimulants (S), and beta-receptor blockers (β) will be relatively large geographic areas.
It could be said that TMZD seems to be closer to steroids (H) or beta receptor blockers (β), but it is not so clear.
Let’s see how HSP, DN, AN, and MVol are reduced to three dimensions using Principal Component Analysis (PCA).
| 交感神経β受容体遮断薬 | BETA-BLOCKERS | β | cyan |
| 興奮剤 | STIMULANTS | S | blue |
| 利尿薬 | DIURETICS | D | green |
| ステロイド | Steroids | H | orange |
| 麻(酔)薬,催眠剤 | NARCOTICS | N | yellow |
TMZD is around the center of the plot, buried among the other compounds. When zoomed in, it is located near sympathetic beta-receptor blockers (Cyan) and stimulants (Blue).
It can be seen that the position is quite different from that of the compound (Red), which was selected as an analogous drug.
Athletes are not supposed to ingest TMZD, but at least look for flowers that have the same HSP aroma component as TMZD and smell them.
Let ‘ s remind ourselves how to calculate the distance of HSP vectors.
(I have written about this in my blog.) Which compound from TMZD has the shortest HSP distance?
The structure reminds me of antipyretics, so I don’t recommend it.
To find out which flowers have this ingredient, please visit this page. If she gets disqualified for doping, send these flowers!
