Protein Modeling and Drug Docking Studies on Potential Protein Target (E. coli–dosP) and Compound Aldehyde (Sumatriptan) using Bioinformatics Tools

Authors

  • Shoba K. Department of Biotechnology and Biochemistry, DKM College for Women, Vellore, Tamil Nadu – 632001.
  • Kalpana K. Department of Biotechnology and Biochemistry, DKM College for Women, Vellore, Tamil Nadu – 632001.

DOI:

https://doi.org/10.37591/(rrjobi).v5i3.250

Keywords:

Molecular drug docking techniques, PATCHDOCK, Sumatriptan, E coli

Abstract

The aim of the present in silico studies is to find out the potential protein target in stationary phase-induced biofilm regulator (E. coli–dosP) and deliver the 3D structure and to introduce the best inhibitors of aldehydes (Sumatriptan) using molecular drug docking techniques. The potential chemical compound, Aldehyde (Sumatriptan) was retrieved from NCBI PubChem compound database and converted into the 3D structure using online smiles translator and finally docking studies were done on the modelled protein target (E. coli–dosP) using an automated molecular docking server PATCHDOCK. So, we suggest that Sumatriptan potentially inhibits and has the best anti-bacterial activity for the target protein, namely, E. coli–dosP. The aldehyde chemical compound, Sumatriptan is the best therapeutic agent in Bacteria (E. coli).

 

Keywords: Protein modeling, drug docking, protein target, Sumatriptan

 

Cite this Article

Shoba K., Kalpana K., Protein Modeling and Drug Docking Studies on Potential Protein Target (E. coli–dosP) and Compound Aldehyde (Sumatriptan) using Bioinformatics Tools. Research & Reviews: A Journal of Bioinformatics. 2018; 5(3): 9–18p.

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Published

2019-01-24

Issue

Vol. 5 No. 3 (2018)

Section

Research Article

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