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All Journal JKPK (Jurnal Kimia dan Pendidikan Kimia)
Anderson Arnold Aloanis
Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Total Synthesis and Molecular Docking study of Peptide AWVDY as an Anti-inflamation Agent Anderson Arnold Aloanis; Jessika Maya Jovanka Najoan; Vlagia Indira Paat; Stefan Marco Rumengan; Rymond Jusuf Rumampuk
JKPK (Jurnal Kimia dan Pendidikan Kimia) Vol 10, No 2 (2025): JKPK (Jurnal Kimia dan Pendidikan Kimia)
Publisher : Program Studi Pendidikan Kimia FKIP Universitas Sebelas Maret

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/jkpk.v10i2.103623

Abstract

Bioactive peptides are widely recognized for their diverse biological activities, many of which contribute significantly to human health and well-being. In this study, we synthesized and investigated the anti inflammatory potential of a peptide sequence, AWVDY, derived from the oyster (Crassostrea rivularis). The synthesis was carried out using solid phase peptide synthesis (SPPS) with the Fmoc strategy on 2-chlorotrityl chloride (2-CTC) resin, resulting in a high yield of 95.91%. The peptide was characterized through Time-of-Flight Electrospray Ionization Mass Spectrometry (TOF-ESI-MS), which identified a peak at m/z [M+H⁺] 653.1418, corresponding to the expected molecular formula C₃₂H₄₀N₆O₉. Analytical HPLC further confirmed the product, showing a retention time of 22.596 minutes. Molecular docking analysis revealed strong binding affinities between AWVDY and the pro-inflammatory cytokines TNF-α and interleukin-6, with values of –10.372 ± 0.013, – 10.424 ± 0.005, and –8.946 ± 0.010 kcal/mol, respectively. These results suggest that AWVDY may serve as a dual-target peptide with the potential to modulate inflammatory responses, highlighting its promise as a candidate for future anti-inflammatory drug development.
Co-Authors Jessika Maya Jovanka Najoan Rymond Jusuf Rumampuk Stefan Marco Rumengan Vlagia Indira Paat