Hello Respective RG members,
How can (Dawonlod) generate natural products library (Antioxidant compounds only) use for molecular docking study.
Give your valuable suggestions.
Thank You
Antioxidant compounds only libraries are difficuilt to find in a set for free.
Natural product library can easily retrieved throgh ZINC15 database. (https://zinc15.docking.org/substances/subsets/)
Paid libraries will be for only antioxidants available in many databases.
There are a few ways to generate a natural products library of antioxidant compounds for molecular docking studies:
Once you have identified potential compounds for your library, you can then download their chemical structures and use them as inputs for molecular docking studies. There are a variety of molecular docking software packages available, such as AutoDock, Glide, and Dock, that can be used to predict the binding affinity of your compounds to a target protein.
It's important to remember that molecular docking is a computational tool, and its results should be validated experimentally. Additionally, molecular docking does not predict compounds' biological activity but provides information on their potential binding affinity to a target protein.
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