Title

Virtual screening and docking of lead like molecules against Glutathione-S-Transferase protein from Brugia malayi

Authors

Siva Prasad Venkata Satya Chekkara* & Priya Ranjan Kumar

Affiliation

Department of Biotechnology, IMS Engineering College, Ghaziabad, Uttar Pradesh-201009, India

Email

Prof. Siva Prasad Venkata Satya chekkara - E-mail: chekkara@gmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received November 23, 2018; Revised December 20, 2018; Accepted December 20, 2018; Published December 23, 2018

Glutathione-S-transferase(s) (GST) is an important chemotherapeutic target in lymphatic filarasis caused by Brugia malayi and Wuchereria bancrofti. It has been playing an important role as major detoxification enzyme and help in intracellular transportation of hydrophobic substrates. Therefore, it is of interest to screen GST from Brugia malayi with millions of known ligands at the ZINC database using AUTODOCK for the identification of potential inhibitors with improved binding characteristics. We report two potent inhibitors ZINC00179016 and ZINC08385519 which are the molecules of pyrrolidinedione and benzimidazole families respectively as potential inhibitors of GST from Brugia malayi with suitable binding properties.

Keywords

Glutathione-S-transferase, Brugia malayi, Virtual screening, Docking, Pyrrolidinedione family, Bezimidazole.

Citation

Satya Chekkara & Ranjan Kumar, Bioinformation 14(9): 554 (2018)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.