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The ligand binding region of the enzyme or receptor is generally the hydrophobic pocket of the protein molecule.eachenzymeorrecipientActive binding ofsiteGenerally, there is only one.In the non virtual screening processSmall moleculeIt must be bound to the active binding site.
The ligand binding region of the enzyme or receptor is generally the hydrophobic pocket of the protein molecule.Each enzyme orrecipientIs there generally only one active binding site for.In the non virtual screening process, small molecules that can bind to enzymes or receptors must be bound to the active binding site.
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(1) This thing doesn't need to be experimented. It's just what it looks like when you sit downa look。If you don'tconditionIt is necessary to view the complex structure parsed by others from the public PDB database, download the complex of enzymes or receptors and phase ligands to be specifically understood, and see whether the pocket is hydrophobic, or whether there are compounds partially exposed outside the pocket, and the environment in the pocket is also clear at a glance.
(2) In the non virtual screening process, small molecules that can bind to enzymes or receptors must be bound to the active binding site.The structure of PDB database is experimental structure. If it is computational structureexplain。
Small molecules must be bound to their targets at their binding sites.However, there may be different combinations of agonists and antagonists (subdivided into several types).Even the combination mode of the same mechanism may be different.
