Virtual screening
From DrugPedia: A Wikipedia for Drug discovery
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==Ligand Based Screening== | ==Ligand Based Screening== | ||
| - | In this case first we build the 3-D structure of receptor molecule and calculate their[[pharmacophore]] properties like molecular weight,hydrophobicity etc. | + | In this case first we build the 3-D structure of receptor molecule and calculate their [[pharmacophore]] properties like molecular weight,hydrophobicity etc. |
These properties is then used to search the database of chemical compound to filter such compounds that have comparable properties. | These properties is then used to search the database of chemical compound to filter such compounds that have comparable properties. | ||
==Refrences== | ==Refrences== | ||
Revision as of 04:10, 1 August 2008
Virtual Screening is the process of screen large no. of molecule using in-silico methods.
Contents |
Methods
There are two methods for virtual screening.
- Structure Based Screening
- Ligand Based Screening
Structure Based Screening
Structure based screening is based on the method of docking of ligands molecule from chemical database with a known receptor/target molecule.
Ligand Based Screening
In this case first we build the 3-D structure of receptor molecule and calculate their pharmacophore properties like molecular weight,hydrophobicity etc. These properties is then used to search the database of chemical compound to filter such compounds that have comparable properties.
