Virtual screening of approved drugs against Purine nucleoside phosphorylase of Schistosoma mansoni

Research output: Contribution to journalArticle

Abstract

Schistosomiasis is an endemic neglected tropical disease caused by trematodes of the genus Schistosoma. Purine nucleoside phosphorylase (PNP) of purine salvage pathway is essential for recovery of nucleosides in Schistosoma species. Schistosoma mansoni PNP (SmPNP) is well-explored drug target for schistosomiasis. The currently available drugs have adverse effects such as abdominal discomfort, nausea, drowsiness and pyrexia. Hence, there is a need for new compounds exhibiting anti-schistosomal activity with minimal or no side effects. In the present study, virtual screening of approved drugs from Drug Bank was compared against Schistosoma mansoni and human PNPs. Among the approved drugs, 15 molecules were selected based on the interaction scores, out of which 11 drugs interacted with SmPNP and the remaining four interacted with human PNP.

Original languageEnglish
Pages (from-to)383-400
Number of pages18
JournalInternational Journal of Computational Biology and Drug Design
Volume8
Issue number4
DOIs
Publication statusPublished - 2015

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Purine-Nucleoside Phosphorylase
Preclinical Drug Evaluations
Schistosoma mansoni
Screening
Schistosoma
Pharmaceutical Preparations
Schistosomiasis
Salvaging
Neglected Diseases
Sleep Stages
Nucleosides
Nausea
Recovery
Fever
Molecules

All Science Journal Classification (ASJC) codes

  • Drug Discovery
  • Computer Science Applications

Cite this

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abstract = "Schistosomiasis is an endemic neglected tropical disease caused by trematodes of the genus Schistosoma. Purine nucleoside phosphorylase (PNP) of purine salvage pathway is essential for recovery of nucleosides in Schistosoma species. Schistosoma mansoni PNP (SmPNP) is well-explored drug target for schistosomiasis. The currently available drugs have adverse effects such as abdominal discomfort, nausea, drowsiness and pyrexia. Hence, there is a need for new compounds exhibiting anti-schistosomal activity with minimal or no side effects. In the present study, virtual screening of approved drugs from Drug Bank was compared against Schistosoma mansoni and human PNPs. Among the approved drugs, 15 molecules were selected based on the interaction scores, out of which 11 drugs interacted with SmPNP and the remaining four interacted with human PNP.",
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