JKPK (Jurnal Kimia dan Pendidikan Kimia)
Vol 10, No 2 (2025): JKPK (Jurnal Kimia dan Pendidikan Kimia)

Total Synthesis and Molecular Docking study of Peptide AWVDY as an Anti-inflamation Agent

Anderson Arnold Aloanis (Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia)
Jessika Maya Jovanka Najoan (Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia)
Vlagia Indira Paat (Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia)
Stefan Marco Rumengan (Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia)
Rymond Jusuf Rumampuk (Chemistry Department, Faculty of Mathematics, Natural Sciences and Earth Sciences, Universitas Negeri Manado, Minahasa, Indonesia)



Article Info

Publish Date
20 Aug 2025

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.

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Journal Info

Abbrev

jkpk

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry

Description

The JKPK (Jurnal Kimia dan Pendidikan Kimia) is a national journal, published three times a year in April, August, and December, containing research articles on Chemistry and Chemistry ...