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

Aloanis, Anderson Arnold (Unknown)
Najoan, Jessika Maya Jovanka (Unknown)
Paat, Vlagia Indira (Unknown)
Rumengan, Stefan Marco (Unknown)
Rumampuk, Rymond Jusuf (Unknown)



Article Info

Publish Date
20 Aug 2025

Abstract

Bioactive peptides are known for their diverse biological functions, many of which support health and well-being. In this study, we synthesized and evaluated the anti-inflammatory potential of the peptide AWVDY, derived from oyster (Crassostrea rivularis). The synthesis was performed using the solid-phase peptide synthesis (SPPS) method, applying the Fmoc strategy on 2-chlorotrityl chloride (2-CTC) resin, and achieved a high yield of 95.83%. The resulting peptide was characterized using Time-of-Flight Mass Spectrometry (TOF-MS), which detected a peak at m/z [M+H⁺] 653.1418, consistent with the expected molecular formula C₃₂H₄₀N₆O₉. This was further validated by analytical HPLC, showing a retention time of 22.596 minutes. Molecular docking studies indicated that AWVDY binds favorably to the pro-inflammatory cytokines TNF-α and Interleukin-6, with binding affinities of -10.360, -10.430, and -8.960 kcal/mol, respectively. These findings suggest that AWVDY may act as a dual-target peptide capable of modulating inflammatory pathways, highlighting its potential as a promising candidate for the development of new anti-inflammatory therapeutics. 

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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 ...