Hello every one
I made the synthesis of some new compounds and I want to evaluate their biological activities such as anticancer, antifungal and antibacterial activity.
The question that arises here, if these compounds do not degrade in the biological medium (human tissue, fungal, bacterium) that pass before reaching their target?
So, I would like to know if there is a scientific program that can predict this property (stability of a molecule in a biological medium).
best regards
First of all you look into your SAR - Structure activity Relationship for the newly synthesized compounds. If it is a molecular modification of already existing compound, then the activity will remain same as the lead compound. There are two types Biological studies are there, whether you are doing in vivo ( using whole animal) or in vitro (cell culture, tissue culture or isolated organs studies). In in vitro like anti-cancer or anti- bacterial studies no need to worry about the toxicity, If you are using whole animal then you have to do the acute toxicity studies on animals by using OECD guidelines before checking for its therapeutic use..
I presume from your question that you are embarking on screening studies for the new compounds you have made. If you are using disk diffusion or 96 well, the best thing to do is just do your screening first. While there are ways to test for lipid solubility, there is no real way to predict stability in the media. So, first do your screening - that is easier and faster than anything else and you can see which ones do well and focus on them. If your compounds are simple, one could use NMR, IR or UV-Vis techniques to monitor how your compound behaves in the media and give you an idea of stability. We had some compounds that gave erratic results. UV-Vis spectroscopy showed the compound was reacting with something in the mediium.
For in silico prediction you may use ADME module of Schrodinger Software, whereas in case you need to predict in vitro effect mass spectroscopy is the best possibility you may use.
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