Is there any tool or program to predict the synergy of two drugs based on bioinformatics without experimental data. I've more than 30 active TCM compounds that target hypertension associated disease genes.
What is the question that you want to know? Synergy of two drugs acting on the same receptor? It might help to specify the question so that people can help answer it better.
This is an experimental problem, something that you need to test in cell lines etc.
I don't think there is any software that allows such analysis. However, a good practice, would be to test the compounds aganist CYP450 enzymes, hERG, HepG2 and ligand-ligand. An overall vitual screening, comparing residue interactions, energy scores and affinity, should give you a brief "overview" of what compound might compete or interact in a real scenario.
I.e., if 2 compounds have great free energy score differences aganist CPY4503A4 it might indicate that delivering both compounds might "empower" the effects and the FB (fragment bioavailability) of the compound with less score (like many warfrarin drugs...).
However, nothing, at the current state of art, can substitute cell lines/animal testing.
Hope this helps!
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