What are some computational methods or tools for the prediction of target protein if we already have a newly designed drug or peptide for it?

21 February 2022 1 7K Report

I want to know about different in-silico methods or tools through which I can predict the target protein of any cell for the designed drug or peptide.

Roger Davis

Maybe you can try target fishing. The small molecule is placed on the active sites of targets of the database one by one and ranked according to the binding energy. The lower the binding energy, the higher the ranking, the greater the possibility of potential targets. Creative Biostructure has a dedicated computer-aided drug design platform that supports target fishing.

https://drug-discovery.creative-biostructure.com/maghelix-cadd-platform-p59

Yours truly

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