Network Biology Approaches to Identify the Drug Lead Molecule for Neurodevelopmental Disorders in Human

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26220%2F20%3APU145264" target="_blank" >RIV/00216305:26220/20:PU145264 - isvavai.cz</a>

Result on the web

<a href="https://openbioinformaticsjournal.com/VOLUME/13/PAGE/15/FULLTEXT/" target="_blank" >https://openbioinformaticsjournal.com/VOLUME/13/PAGE/15/FULLTEXT/</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2174/1875036202013010015" target="_blank" >10.2174/1875036202013010015</a>

Result language

angličtina

Original language name

Network Biology Approaches to Identify the Drug Lead Molecule for Neurodevelopmental Disorders in Human

Original language description

Aims: To identify most novel drug target and lead molecule for neurodevelopmental disorder Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases through system biology approaches Background: Neurodevelopmental disorders (NNDs) are disabilities associated chiefly with the functioning of the neurological system and brain. Children with neurodevelopmental disorders have difficulties with speech, behaviour, learning and other neurological functions. Systems biology is a holistic approach to enciphering the complexity of biological systems and their interactions. It opens the way to a more successful discovery of novel therapeutics. Objective: To identify most novel drug target and lead molecule for neurodevelopmental disorder Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases through system biology approaches. Methods: A list of genes was collected from NCBI database for Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases. STRING database and Cytoscape software was used for construction and interpreting molecular interaction in the network. 3D structure of target protein, was build and validated.The phytochemicals were identified through various research articles and filtered out by virtual screening through Molinspiration. Molecular docking analyses of known phytochemical with target proteins were performed usingAutoDock tool. Result: AKT1 for Autism, SNAP25 for Intellectual Disability (ID) and DRD4 for Attention Deficit Hyperactivity Disorder (ADHD) were identified as most potential drug target through network study. further the modelled structure of obtained target were undergo molecular docking study with kown phytochemicals. Based on lowest binding energy, Huperzine A for Autism and ID, Valerenic acid for ADHD found to be the most potential therapeutic molecules. Conclusion: Huperzine A against Autism and ID, Valerenic acid a

Czech name

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Czech description

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Type

J_SC - Article in a specialist periodical, which is included in the SCOPUS database

CEP classification

—

OECD FORD branch

30210 - Clinical neurology

Project

—

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2020

Confidentiality

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

Name of the periodical

The Open Bioinformatics Journal

ISSN

1875-0362

e-ISSN

—

Volume of the periodical

13

Issue of the periodical within the volume

1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

9

Pages from-to

15-24

UT code for WoS article

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EID of the result in the Scopus database

2-s2.0-85131543740