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research papersFragmentbased screening targeting an open form of the SARSCoV2 main protease binding pocket ISSN 20597983Received 20 November 2023 Accepted 9 January 2024Edited by M. Rudolph, F. HoffmannLa
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01
Define the target protein and its biological relevance.
02
Select a diverse library of small molecular fragments.
03
Prepare the protein sample and ensure it's in a suitable buffer system.
04
Set up the screening assay using an appropriate method (e.g., SPR, NMR, X-ray crystallography).
05
Incubate the fragments with the protein to allow binding.
06
Screen the fragments to identify hits that bind to the target protein.
07
Analyze the binding data to determine the affinity and specificity of the fragments.
08
Optimize the hits by performing structural modifications to enhance binding.
09
Validate the optimized fragments using additional assays and tests.

Who needs fragment-based screening targeting an?

01
Pharmaceutical companies involved in drug discovery.
02
Academic researchers studying protein-ligand interactions.
03
Biotechnology firms focusing on targeted therapies.
04
Organizations developing novel compounds for specific biological targets.
05
Structural biologists working on protein characterization.
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Fragment-based screening is a drug discovery technique that involves identifying small chemical fragments that bind to a target protein or molecule, which can then be optimized into more potent drug candidates.
Researchers and organizations engaged in drug discovery that utilize fragment-based screening methods are typically required to file information related to their screening activities.
To fill out fragment-based screening targeting, one must provide detailed information about the screening process, including the target proteins, methods used, and the results of the screening activities.
The purpose of fragment-based screening is to discover new small molecule drug candidates that can effectively bind to and modulate the activity of specific biological targets, thereby aiding in the development of novel therapies.
Information that must be reported includes the details of the target proteins, the fragments screened, methodologies employed, significant findings, and any follow-up procedures or developments.
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