Protocol

Neurotransmitter Transporters

Volume 118 of the series Neuromethods pp 83-89

Date:

Experimental Data Guided Docking of Small Molecules into Homology Models of Neurotransmitter Transporters

  • Andreas JurikAffiliated withDepartment of Pharmaceutical Chemistry, University of Vienna
  • , Amir SeddikAffiliated withDepartment of Pharmaceutical Chemistry, University of Vienna
  • , Gerhard F. EckerAffiliated withDepartment of Pharmaceutical Chemistry, University of Vienna Email author 

* Final gross prices may vary according to local VAT.

Get Access

Abstract

Docking of small molecules into proteins is a key process in structure-based drug design. It helps to derive binding hypotheses and is a standard tool for structure-based virtual screening. However, in case there are no high resolution structures of the protein of interest available, the results obtained require careful validation. In this chapter we present a workflow for experimental data guided docking of small molecules into protein homology models of neurotransmitter transporter.

Key words

Neurotransmitter transporter GABA transporter Ligand docking Scoring function GAT1 SERT DAT