Detail publikačního výsledku

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

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

Originální název

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

Anglický název

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

Druh

Článek WoS

Originální abstrakt

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.

Anglický abstrakt

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.

Klíčová slova

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

Klíčová slova v angličtině

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

Autoři

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

Rok RIV

2017

Vydáno

01.11.2016

ISSN

1948-7193

Periodikum

ACS Chemical Neuroscience

Svazek

7

Číslo

11

Stát

Spojené státy americké

Strany od

1607

Strany do

1613

Strany počet

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 Chemical Neuroscience",
  year="2016",
  volume="7",
  number="11",
  pages="1607--1613",
  doi="10.1021/acschemneuro.6b00242",
  issn="1948-7193"
}