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Journal : Biomolecular and Health Science Journal

Anti-eczema Mechanism of Action of Nigella sativa for Atopic Dermatitis: Computer-aided Prediction and Pathway Analysis Based on Protein-chemical Interaction Networks Widyaswari, Meidyta Sinantryana; Noventi, Iis; Supriyana, Herdiantri
Biomolecular and Health Science Journal Vol. 2 No. 2 (2019): Biomolecular and Health Science Journal
Publisher : Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (311.136 KB) | DOI: 10.20473/bhsj.v2i2.15007

Abstract

Introduction: Black cumin (Nigella sativa) is widely used to treat various diseases. It is also believed to relief skin conditions accompanied by itching symptom, such as atopic dermatitis (AD) or eczema. However, the anti-eczema mechanism of action is still unclear. The aims of this syudy was to  identify anti-eczema mechanism of action of N. sativa for AD using computer aided prediction and pathway analysis based on protein-chemical networks. Methods: We utilized dataset consisting chemical compounds of N. sativa from KNApSAcK. It is a comprehensive species-metabolite relationship database. Using canonical SMILES strings that encode molecular structures of each compound, we predicted the probabilities of activity (Pa) for anti-eczema effect based on PASS algorithms. The compounds with Pa >0.7 were included for pathway analysis based on protein-chemical interaction networks in STITCH database. We selected interactomes built by experimental data, gene co-expression, closest gene position, fusion, co-occurence, computational prediction, and other secondary data. Results: Thirty-five active compounds of N. sativa have been utilized and 19 of them have potential anti-eczema effects. Oleic acid and lauric acid were predicted with Pa-value of 0.947 and 0.920 for anti-eczema effect, respectively. However, only lauric acid was confirmed having a plausible mechanism of action via LY96-TLR4- PIK3R1 pathway for lipopolysaccharide receptor activity (false discovery rate [FDR] = 0.0243) and low-density lipoprotein particle receptor binding (FDR = 0.0118). Conclusion: Lauric acid in N. sativa has potential antieczema effect to prevent relaps in AD patients by controlling opportunistic bacterial infection that aggravates itching symptom in this condition.
Co-Authors -, Rusdianingseh Afib Rulyansah Afridah, Wiwik Aini, Nur Ainiyah Ainul Rofik Aisyah Aisyah Algristian, Hafid Ana Fajarini Anggraini, Dewi Puspita Anisah Annif Munjidah Aulia, Nurlisa Naila Damawiyah, Siti Destita Shari Dewi Masithah Dike Bayu Magfira, Dike Bayu Erika Wardani Febriarta, Ajie Firdaus Firdaus Firdaus Firdaus Hatmanti, Nety Mawarda Heris Santy, Wesiana Hidaayah, Nur Hotijah Hotijah Ika Mardiyanti Ima Kurniastuti Imamatul Faizah Ira Trio Jauharotur Rihlah Kamariyah, Nurul Khafid, Muhamad Kholidatul Muawanah Kussumawati, Melina Kusumawati, Diah Retno Lina Ekawati M. Shodiq M. Shodiq M.Shodiq M.Shodiq Mahyuvi, Tata Maimunah, Siti Mawarda Hatmanti , Nety Mawarda Hatmanti, Nety Meidyta Sinantryana W Meidyta Sinantryana Widyaswari, Meidyta Sinantryana Misutarno, Misutarno Moch. Dwikoryanto Mochamad Ikwan Muhamad Khafid Muhammad Khafid Mustalia Mustofa Mustofa Nadatien, Ima Nerisafitra, Paramitha Nur Ainiyah Nur Ainiyah Nur Azizah AS Nurul Abidah Nurul Kamariyah Nyoto Nyoto Priyagung Gusmantara Priyo Mukti Pribadi Winoto Purwanti, Nunik Purwanti, Nunik Putri, Rahmadaniar Aditya Putri, Rizka Amalia Rahmadaniar Aditya Rahmadaniar Aditya Putri Rohmawati, Riska Rusdianinseh Rusdiansyah, Mohamad Sari, Ratna Yunita Shobihatus Syifak Shobihatus Syifak Shofianty, Putri Aprillia Singgih Singgih Siti Maimunah Siti Maimunah Siti Noersiyah Siti Nur Hasina Soleha, Umdatus Sulenti Widiastuti Sulistiyani, Endang Sulistyorini Sulistyorini Sulistyorini Sulistyorini, Sulistyorini Supriyana, Herdiantri Syafik, Shobihatus Umi Hanik Wardhana, Fahmy Dhio Wijayanti, Lono Winoto, Priyo Mukti Pribadi Yanis Kartini Yudianto, Firman Yuniati, Dyah Zahroh, Chilyatiz