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

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.