Publication detail

Guidelines for Homology Modeling of Dopamine, Norepinephrine, and Serotonin Transporters

HADDAD, Y. HEGER, Z. ADAM, V.

Original Title

Guidelines for Homology Modeling of Dopamine, Norepinephrine, and Serotonin Transporters

Type

journal article in Web of Science

Language

English

Original Abstract

neurotransmitters and targets for many drugs. Pioneering works in the past three years to elucidate experimental models of the Drosophila dDAT and human hSERT structures will rapidly impact the field of neuroscience. Here, we evaluated automated homology-based human models of these transporters, employing systematic physics-based, knowledge-based, and empirical-based check. Modeling guidelines were conveyed with attention to the central binding site (S1), secondary binding site (S2), and the extracellular loops EL2 and EL4. Application of new experimental models (dDAT and hSERT) will improve the accuracy of homology models, previously utilizing prokaryotic leucine transporter (LeuT) structure, and provide better predictions of ligand interactions, which is required for understanding of cellular mechanisms and for development of novel therapeutics.

Keywords

dopamine transporter; Homology-based; norepinephrine transporter; protein structure; serotonin transporter; template-based

Authors

HADDAD, Y.; HEGER, Z.; ADAM, V.

Released

1. 11. 2016

ISBN

1948-7193

Periodical

ACS CHEM NEUROSCI

Year of study

7

Number

11

State

United States of America

Pages from

1607

Pages to

1613

Pages count

7

BibTex

@article{BUT131501,
  author="Yazan Abdulmajeed Eyadh {Haddad} and Zbyněk {Heger} and Vojtěch {Adam}",
  title="Guidelines for Homology Modeling of Dopamine, Norepinephrine, and Serotonin Transporters",
  journal="ACS CHEM NEUROSCI",
  year="2016",
  volume="7",
  number="11",
  pages="1607--1613",
  doi="10.1021/acschemneuro.6b00242",
  issn="1948-7193"
}