Neuroblastoma Homing Peptide Screening Using Unrefined Homology Structure of Norepinephrine Transporter

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62156489%3A43210%2F16%3A43910235" target="_blank" >RIV/62156489:43210/16:43910235 - isvavai.cz</a>

Alternative codes found

RIV/00216305:26620/16:PU122772

Result on the web

<a href="https://mnet.mendelu.cz/mendelnet2016/mnet_2016_full.pdf" target="_blank" >https://mnet.mendelu.cz/mendelnet2016/mnet_2016_full.pdf</a>

DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Neuroblastoma Homing Peptide Screening Using Unrefined Homology Structure of Norepinephrine Transporter

Original language description

The norepinephrine transporter (hNET) is a potential target for many antidepressants and for neuroblastoma therapeutics. The entrance channel of hNET and also dopamine transporter (DAT) serve as candidate site for targeting by large peptides e.g. α-helix-based. Targeting peptides, also known as homing peptides, are used to direct the delivery of cargo to specific cell types. Peptides of known secondary structures such as α-helix and β-sheet have predictable and stable folding. In this study, approx. 27 peptides, with predictable secondary structures, were evaluated by 20 dockings predictions on unrefined hNET homology model and DAT crystal structure using molecular mechanics (total ~1080 models). As anticipated, peptide size was detrimental for docking in channel space, whereas peptide isoelectrics point did not affect docking. Peptide's initial non-bonded energy affected docking while overall peptide free energy and initial electrostatic energy did not. Two α-helices showed favorable docking in channel of hNET; namely, GASNGINAYL and SLWERLAYGI with binding energy of -106.2 kJ/mol and -128.6 kJ/mol, respectively. Prior to in vitro and in vivo applications, future work will focus on development of refined accurate model of hNET and application of solvated docking (in presence of water). This study provides new insight to the development of helix-based therapeutic peptides.

Czech name

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Czech description

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Type

D - Article in proceedings

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/NV15-28334A" target="_blank" >NV15-28334A: Influence of metallothionein on binding of platinum cytostatics to DNA in cancer cells</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection

MendelNet 2016: Proceedings of International PhD Students Conference

ISBN

978-80-7509-443-8

ISSN

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e-ISSN

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Number of pages

6

Pages from-to

983-988

Publisher name

Mendelova univerzita v Brně

Place of publication

Brno

Event location

Brno

Event date

Nov 9, 2016

Type of event by nationality

EUR - Evropská akce

UT code for WoS article

000392968500176