I have to do insilico studies for my compound for anti anxiety activity by maestro 12.5. so I need target protein such as gaba(a), serotonin system and also other protein. But it's difficult to choose suitable pdb id.
Hi Logesh Kumar Selvaraj ,
When it comes to selecting your target protein there are several things you can look at from the deposited PDB structure such as:
- source of organisms
- resolution
- mutation
- apo or holo structure
- etc.
You can further refine your selection based on the criteria that match your preferences.
Hope this help. All the best.
Hello Logesh,
The key is to find the "perfect one" (protein) for you. Well, you are not just gonna find it like that, so, there are certain tools that validate the integrity, overall crystalline structure properties, the deviation of psi-phi angles from consensus protein candidate data and many more to count. Such a package is PROCHECK, it is a web-based free tool.
Please send the detailed and precise quarries to address the issue and answer
If you try to specify the target based approach for your docking study then plz try to identify the protein as suits your study comparing with the standard drugs. Eg 6D6T for Human GABA A receptor, 6AWN for Human serotonin transporter system. All the best. If u have any queries, plz feel free to contact me.
is this single protein target is appropriate, when you select any target there should be justification, what is the basis of selection and earlier evidence
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