VIRTUAL SCREENING OF COMMERCIAL CYCLIC PEPTIDES AS β - OG POCKET BINDER INHIBITOR IN DENGUE VIRUS SEROTYPE 2

Authors

  • Usman Sumo Friend Tambunan
  • Arli Aditya Parikesit
  • Vincentia Cheryl Adam
  • Mochammad Arfin Fardiansyah Nasution
  • Ratih Dyah Puspitasari
  • Djati Kerami

Keywords:

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

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.

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Published

2017-03-06

How to Cite

Usman Sumo Friend Tambunan, Arli Aditya Parikesit, Vincentia Cheryl Adam, Mochammad Arfin Fardiansyah Nasution, Ratih Dyah Puspitasari, & Djati Kerami. (2017). VIRTUAL SCREENING OF COMMERCIAL CYCLIC PEPTIDES AS β - OG POCKET BINDER INHIBITOR IN DENGUE VIRUS SEROTYPE 2. GEOMATE Journal, 13(37), 60–68. Retrieved from https://geomatejournal.com/geomate/article/view/1508

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