Virtual screening of commercial cyclic peptides as β -OG pocket binder inhibitor in dengue virus serotype 2

Usman Sumo Friend, Arli Aditya Parikesit, Vincentia Cheryl Adam, Mochammad Arfin Fardiansyah Nasution, Ratih Dyah Puspitasari, Djati Kirani

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

Dengue virus (DENV) has caused infectious disease which puts roughly 40% of world population at risk. An antiviral drug against DENV infection remains unavailable up until now. This research aims to find a drug candidate, which can inhibit β-OG binding site by a screening of 308 commercial cyclic peptides virtually. Through molecular docking and molecular dynamics simulation, it is discovered that cyclo (-D-Trp-Tyr) ligand has good affinity with β-OG binding pocket. Ligand forms a stable complex with envelope protein in 310 K and 312 K. Cyclo(-D-Trp-Tyr) ligand is revealed to be a potential inhibitor of β-OG binding pocket. Thus, it is feasible for further development as an antiviral drug against DENV infection.

Original languageEnglish
Pages (from-to)60-68
Number of pages9
JournalInternational Journal of GEOMATE
Volume13
Issue number7
DOIs
Publication statusPublished - 1 Jan 2017

Keywords

  • Cyclic peptide
  • Dengue
  • Docking
  • Fusion inhibitor
  • β-OG pocket binder

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