Virtual screening

From DrugPedia: A Wikipedia for Drug discovery

Virtual Screening is the process of screen large no. of molecule using in-silico methods.

Contents 1 Methods 2 Structure Based Screening 3 Ligand Based Screening 4 Refrences

Methods

There are two methods for virtual screening.

1. Structure Based Screening
2. 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 theirpharmacophore 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.

Refrences