Published date: Jun 19 2018

Journal Title: KnE Life Sciences

Issue title: International Conference of Occupational Health and Safety (ICOHS 2017)

Pages: 592–598

DOI: 10.18502/kls.v4i5.2588

M Aminmohamad.amin.fmipa@um.ac.id

N Earlia

Y Annisa

A Z Amin

C R S Prakoeswa

R Idroes

I F Amin

B Lukiati

Occupational dermatitis (OCD) is a skin inflammatory disease caused by allergens and irritant agents in the workplace. The disease is related to hypersensitivity reaction, which is correlated with an immunological mechanism (allergic contact dermatitis) and a nonimmunological mechanism (irritant contact dermatitis). Patients with atopic history (rhinitis allergy, asthma, and atopic dermatitis) have a higher risk of contracting OCD. Atopic individuals suffer from barrier skin damage that increases the risk of allergen and irritant penetration. Inflammatory reaction involves T-helper 1 (Th1), which produces cytokine tumor necrosis factor alpha (TNF-α) and interferon-γ (INF-γ), while T-helper 2 (Th2) produces interleukin (IL-4, IL-6, IL-8, IL-10). Eicosapentaenoic acid (EPA) is an omega-3 substance from polyunsaturated free fatty acids (PUFAs)
that has been shown to have an anti-inflammatory effect and the ability to decrease macrophage accumulation. In the inflammatory process, EPA inhibits IL-6, IL-8, and TNF-α, which are mediated by the free fatty acid-binding proteins (FABPs). The aim of this study was to determine the bioactivity compound of EPA for anti-inflammatory agents and its target, based on in silico screening. The bioinformatic tools based on reverse docking used in this study were the PubChem compound database, the protein target prediction database, PharmMapper, SwissTargetPrediction, molecular docking software PyRx 0.8, ligand docking, and binding site analysis using PyMOL software. Docking and binding site analysis showed that EPA was able to interact with
FABPs, with the binding affinity of EPA with FABP 4 higher (–4.2 kcal/mol) than that of hydrocortisone with FABP 4 (–7.4 kcal/mol). EPA has the same binding site and relative bonding power as the FABPs; thus, it has potential as an alternative anti-inflammatory medicine in OCD.

Keywords: occupational dermatitis, eicosapentaenoic acid (EPA), free fatty acid binding proteins (FABPs), reverse docking

[1] Marks, J., Elsner, P., and De Leo, V. (2016). Contact and Occupational Dermatology, (4th edition), 257–264. Nepal: Jaypee Brothers Medical Publishers Ltd.


[2] Brunner, P. M., Suárez-Fariñas, M., He, H., et al. (2017). The atopic dermatitis blood signature is characterized by increases in inflammatory and cardiovascular risk proteins. Scientific Report, vol. 7, no. 8707, pp. 1–12.


[3] Tanjung, C., Rzehak, P., Mansyur, M., et al. (2017). Study protocol to investigate the environmental and genetic aetiology of atopic dermatitis: The Indonesian prospective study of atopic dermatitis in infants (ISADI). BMJ Open, pp. 1–7.


[4] Patel, A. R., Lecerf, J.-M., Schenker, S., et al. (2016). The contribution of modern margarine and fat spreads to dietary fat intake. Comprehensive Review in Food Science and Food Safety, vol. 15: pp. 633–645.


[5] Molfino, A., Amabile, M. I., Monti, M., et al. (2017). Omega-3 polyunsaturated fatty acids in critical illness: Anti-inflammatory, proresolving, or both? Oxidative Medicine and Cellular Longevity, vol. 2017: pp. 1–7.


[6] Yamada, H., Umemoto, T., Kakei, M., et al. (2017). Eicosapentaenoic acid shows antiinflammatory effect via GPR120 in 3T3-L1 adipocytes and attenuates adipose tissue inflammation in diet-induced obese mice. Nutrient and Metabolism, vol. 120, pp. 1–11.


[7] Wang, Q., Shi, G., Teng, Y., et al. (2017). Successful reduction of inflammatory responses and arachidonic acid – cyclooxygenase 2 pathway in human pulmonary artery endothelial cells by silencing adipocyte fatty acid-binding protein. Journal of Inflammation (London), vol. 14, no. 8, pp. 1–9.


[8] Baran, A., S´widerska, M., Bacharewicz-Szczerbicka, J., et al. (2016). Serum fatty acid – Binding protein 4 is increased in patients with psoriasis. Lipids, vol. 52: pp. 51–60.


[9] Furuhashi, M. and Hotamisligil, G. S. (2008). Fatty acid-binding proteins: Role in metabolic disease and potential as drug target. NIH Public Access - Nature Reviews, Drug Discovery, vol. 7, no. 6, pp. 489.


[10] Calder, P. C. (2010). Omega-3 fatty acids and inflammatory processes. Nutrients, vol. 2, pp. 355–374.


[11] Maroon, J. C. and Bost, J. W. (2006). Omega-3 fatty acids (fish oil) as an anti-inflammatory: An alternative to nonsteroidal anti-inflammatory drugs for discogenic pain. Surgical Neurology, vol. 65, no. 2006, pp. 326–331.