In silico potential drug target identification against 4-aminobutyrate aminotransferase for Huntington diseases

Authors

  • Shilpi Verma Department of Applied Science, Indian Institute of Information Technology Allahabad, INDIA
  • Prachi Srivastava Department of Applied Science, Indian Institute of Information Technology Allahabad, INDIA
  • Vivek Verma Department of Applied Science, Indian Institute of Information Technology Allahabad, INDIA
  • Swechha Mishra Department of Applied Science, Indian Institute of Information Technology Allahabad, INDIA
  • Sangeeta Singh

Abstract

Huntington disease, HD is a progressive neurodegenerative disorder. Some excitatory chemicals released like glutamate which causes the cell damage and the neuron die due to over accumulation of the glutamate in Huntington diseases (HD), which is regulated by the GABA also known as gamma- amino butyric acid, it is a major inhibitory neurotransmitter of the nervous system. Here we are targeting the pyridoxal dependent enzyme which degrades the GABA neurotransmitter, that is g-Amino butyrate aminotransferase (GABA-AT).The study comprises of the estimation of inhibitory activity of the ligands against the GABA-AT. The PDB structure of the human GABA-AT is not known so we use pig GABA-AT, as there is a very high sequence similarity between human and pig GABA-AT, the PDB id of protein 1OHV, which is chosen as a target protein. The database of 1687 ligands for GABA-AT was prepared from LigPrep in Schrödinger. Eight compounds with highest binding energy that was identified using precisions like virtual screening with ADME test and leads to acceptable pharmacokinetic properties. These compounds can be treated as inhibitors for symptoms due to HD for in vitro studies.

 

Keywords:Huntington diseases, Glutamate, Gamma- aminobutyric acid, g-Aminobutyrate aminotransferase, Virtual screening, Pharmacokinetic properties

 

Cite this Article

Shilpi Verma, Prachi Srivastava, Vivek Verma, et al. In silico potential drug target identification against 4-aminobutyrate aminotransferase for Huntington diseases. Research & Reviews: A Journal of Drug Design & Discovery. 2017; 4(3): 1–5p.

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Published

2018-03-09

Issue

Vol. 4 No. 3 (2017)

Section

Research Article

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