Anti-eczema Mechanism of Action of Nigella sativa for Atopic Dermatitis: Computer-aided Prediction and Pathway Analysis Based on Protein-chemical Interaction Networks

Meidyta Sinantryana Widyaswari, Iis Noventi, Herdiantri Supriyana

Abstract views = 473 times | downloads = 440 times


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.


Nigella sativa atopic dermatitis; protein-chemical interaction networks; PASS

Full Text:



Atmadja, Djaja Surya dan Untoro, Evi. 2013. Penerapan Ilmu Kedokteran Forensik dalam Proses Penyidikan Bab 16. Jakarta: Sagung Seto.

Butler, John M. 2004. Short Tandem Repeat Analysis for Human Identity Testing. 01 September 2004

Butler, John M. 2005. Forensic Dna Typing Biology, Technology, And Genetics Of Str Markers Second edition. USA: Elsevier Academic Press

Kusuma, S.E. dan Sosiawan, A. 2004. Efek Temperatur Ekstrim terhadap Kualitas DNA Inti dan DNA mitokondria Sebagai Bahan Identifikasi Forensik. Lembaga Penelitian dan Pengabdian Masyarakat Universitas Airlangga.

Margolis-Nunno, H.; Brenner, L.; Cascardi, J.; dan Kobilinsky, L. 2001. A New Allele Of The Short Tandem Repeat (STR) Locus, CSF1PO. J Forensic Sci. 2001 Nov;46(6):1480-3.

Promega Corp. 2000. IDNADEX: Improving DNA Data Exchange Validation Studies on DNA Mixtures Using the PowerPlex® Fusion 6C System. Retrieved from Accessed on 10th July 2018.

Sweet, D; Lorente, M; Valenzuela, A; Lorente, J.A; dan Alvarez, J.C. 2006. Increasing DNA Extraction Yield From Saliva Stains with a Modified Chelex Methode. Forensic Sci Int. 1996 Dec 27;83(3):167-77.

Syukriani, Yoni Fuadah. 2012. DNA Forensik. Jakarta: Sagung Seto.

Van Pelt-Verkuil, E.; Belkum, Alex van; dan Hays, John P. 2008. Principles and Technical Aspects of PCR Amplification. Springer Netherlands: Springer Science + Business Media B.V.

Wurmb-Schwark, Nicole von; Caliebe, Amke; Schwark, Amke; Kleindorp, Rabea; Poetsch, Micaela; Schreiber, Stefan; dan Nebel, Almut. 2011. Association Of TH01 With Human Longevity Revisited. Eur J Hum Genet. 2011 Aug; 19(8): 924–927. Published online 2011 Mar 16. doi: 10.1038/ejhg.2011.43.

Yudianto, Ahmad. 2015. Pemeriksaan Identifikasi Forensik Molekuler. Surabaya: Global Persada Press.


  • There are currently no refbacks.

Copyright (c) 2019 Biomolecular and Health Science Journal


Creative Commons License

This Journal (E-ISSN:2620-8636) is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

View BHSJ Stats