Detail publikace

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

Archana Verma1, Shweta Singh Chauhan1, Vaishali Pankaj1, Neha Srivastv, Prachi Srivastava

Originální název

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

Typ

článek v časopise ve Scopus, Jsc

Jazyk

angličtina

Originální abstrakt

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 against ADHD found to be the most potential therapeutic molecules and expected to be effective in the treatment of NNDs. Phytochemicals do not have side effects so extract of these can be taken in preventive form too as these disorders occur during developmental stages of the child. Further the obtained molecule if experimentally validated would play promising role for the treatment of NDDs in human.

Klíčová slova

Neurodevelopmental disorder, Autism, Intellectual Disability, Attention Deficit Hyperactivity Disorder, Docking, STRING Database.

Autoři

Archana Verma1, Shweta Singh Chauhan1, Vaishali Pankaj1, Neha Srivastv, Prachi Srivastava

Vydáno

20. 3. 2020

ISSN

1875-0362

Periodikum

The Open Bioinformatics Journal

Ročník

13

Číslo

1

Stát

Nizozemsko

Strany od

15

Strany do

24

Strany počet

9

URL

https://openbioinformaticsjournal.com/VOLUME/13/PAGE/15/FULLTEXT/

BibTex

@article{BUT178815,
  author="Vaishali {Pankaj} and Archana {Verma} and Shweta Singh {Chauhan} and Neha {Srivastava} and Prachi {Srivastava}",
  title="Network Biology Approaches to Identify the Drug Lead Molecule for Neurodevelopmental Disorders in Human",
  journal="The Open Bioinformatics Journal",
  year="2020",
  volume="13",
  number="1",
  pages="15--24",
  doi="10.2174/1875036202013010015",
  issn="1875-0362",
  url="https://openbioinformaticsjournal.com/VOLUME/13/PAGE/15/FULLTEXT/"
}