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

ABSTRACT: 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.

SUBMITTER: Venkata Satya Chekkara SP

PROVIDER: S-EPMC6563667 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature

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

Venkata Satya Chekkara Siva Prasad SP Ranjan Kumar Priya P

Bioinformation 20181231 9

Glutathione-S-transferase(s) (GST) is an important chemotherapeutic target in lymphatic filarasis caused by <i>Brugia malayi</i> and <i>Wuchereria bancrofti</i>. 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 cha ...[more]

PMID: 31223214

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