Does molecular docking between the cement protein of barnacles and resin acids open a new gate for the development of eco-friendly antifouling paint?

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Kırkız İ., Çavaş L.

Journal of Life Sciences and Biomedicine, vol.6, no.79, pp.13-32, 2024 (Peer-Reviewed Journal)

Abstract

As a result of the surfaces of ships being covered with fouling organisms, ships begin to consume more fuel to reach their destinations. Excessive fuel consumption by ships causes carbon emissions to increase. This increase in carbon emissions is one of the main reasons for climate change and biodiversity loss because it causes ocean acidification. Another factor affecting biodiversity is antifouling paints containing biocides. In antifouling paints, released compounds accumulate in sediments and marine organisms. These compounds interact differently with various organisms to achieve antifouling abilities. To understand the molecular interactions between cement proteins from Amphibalanus amphitrite and resin acids, molecular docking was carried out comprehensively in the present study. For molecular docking, CB-Docking was used to estimate the bonding energies. According to the results, the best interaction was found between dehydroabietic acid and A. amphitrite CP-20k-2 and the binding energy was -8.0 kcal/mol. The weakest binding energy was observed between neoabietic acid and A. amphitrite CP-20k-1 with -4.7 kcal/mol. In conclusion, the molecular docking between specific proteins responsible for fouling activity and the chemical that will be used in the formulation of new eco-friendly antifouling paints can correctly estimate the antifouling performance. Moreover, the in-silico methods can decrease the cost and time for R&D studies of new-generation eco-friendly antifouling paints