Nitroso-melatonin

Limits of Nitrosamines
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Hello all,

hope you are fine.

Here is my new task. Limit for Nitroso-melatonin (NOMel).
CPCA approach is not applicable as per guidelines, Additionally, the potency categorisation approach does not apply to N-nitrosamines where the N-nitroso group is attached to a nitrogen within a hetero aromatic ring (e.g., nitrosated indole).

My first thought was to run the LCBD database but no structural-similar molecules…

So second thought to see through the already established AI and find any structural similar moiety. I trust the most similar is NPYR (AI 1700 ng).

Finally, several publications discuss the the suspected carcinogenical potential of NOMela is clearly overruled https://onlinelibrary.wiley.com/doi/full/10.1111/j.1600-079X.2008.00655.x

Do you think that this can work?

Did you have the chance to deal with such NCOs in the past?

Now, let me thank you for taking the time to review my topic. Wishing you all peace, joy, prosperity and all the best during the holidays and beyond! :christmas_tree:

BR,
Eleni

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If not already done, you may want to check out these articles:
https://pubs.acs.org/doi/epdf/10.1021/acs.oprd.3c00008
and
https://jpharmsci.org/article/S0022-3549(22)00525-1/fulltext
Happy holidays!

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Dear @mflorea
Thank you so much for the insightful input.
Best wishes :christmas_tree:

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See also:
AI for en Indole struktur (N-Nitroso melatonin) - Limits of Nitrosamines - Nitrosamines Exchange (usp.org)
:spiral_calendar: Nitrosamines Conversation Event w/ Dr. Raphael Nudelman - Events / Workshops / Webinars - Nitrosamines Exchange (usp.org)
Calculation of Nitrosamines AI not covered by CPCA - Limits of Nitrosamines - Nitrosamines Exchange (usp.org)

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