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Didik H. Utomo
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Biochemistry, Genetics & Molecular Biology Immunology & microbiology Medicine & Pharmacology Neuroscience Public Health

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Analisis In Silico Potensi Minyak Kedelai (Glycine max) dalam Terapi Dermatitis Atopik Primadhanty. R. S. Bhadra; Mardiana; Ahmad Fiqri; Ummi Rinandari; Didik H. Utomo; Muhammad Eko Irawanto
MEDICINUS Vol. 34 No. 2 (2021): MEDICINUS
Publisher : PT Dexa Medica

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (121.375 KB) | DOI: 10.56951/medicinus.v34i2.63

Abstract

Soybean oil contains various bioactive phytochemicals such as phenolic acids, flavonoids, isoflavones, saponins, phytosterols and sphingolipids which might give benefit in the treatment of atopic dermatitis (AD). This study aimed to evaluate the soybean oil compounds using computational in silico analysis for the treatment of atopic dermatitis. The active compounds of soybean oil were extracted from the KNApSAcK database. Results showed that soybean oil might possess some potential bioactivity such as immunosuppressant, antiinflammatory, improves skin barrier function, antieczema and histamine inhibitor. The highest potential bioactivity of soybean oil was as antiinflammatory, with an average value of probable to be active (Pa) 0.684; while the high potency active compound is alpha-tocopherol (Pa: 0.956).
Analisis In Silico pada VCO untuk Terapi Dermatitis Atopik Mardiana; Primadhanty B; Adniana N; Halim PK; Didik H. Utomo; Endra Yustin Ellistasari; Suci Widhiati
MEDICINUS Vol. 33 No. 3 (2020): MEDICINUS
Publisher : PT Dexa Medica

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (336.324 KB) | DOI: 10.56951/medicinus.v33i3.74

Abstract

Introduction: In silico analysis is used in the early stages of drug discovery to speed the rate of discovery that is considered cost and time-efficient. Virgin Coconut Oil (VCO) is a treatment option for atopic dermatitis because it has function to repair skin barrier and as anti-inflammation. Objective: To evaluate the VCO content using computational in silico analysis for the treatment of atopic dermatitis. Methods: The active compounds of Cocos nucifera extracted from KNApSAcK database were predicted experimentally and analyzed computationally using Simple Molecular-Input Line-Entry System (SMILES), Prediction of Activity Spectra for biologically active Substances (PASS) server, and Search Tool for Interactions of Chemicals (STITCH). Results: There are 19 active compounds found in VCO. The analysis shows that VCO has free fatty acid (FFA) protein which acts as a receptor for long and medium chain saturated and unsaturated fatty acids. The highest potential bioactivity of active VCO compounds was as antieczema, with the most important component was linoleic acid, with an average value of probable to be active (Pa) = 0.872, predicted to be highly potential in computational and laboratory tests. Conclusion: Based on this study, we recommend the use of VCO as treatment for atopic dermatitis because VCO has anti-inflammatory potential bioactivity, histamine inhibitor, improves skin barrier function and antieczema which could improve the outcome of atopic dermatitis.
Co-Authors Adniana N Ahmad Fiqri Endra Yustin Ellistasari Halim PK MARDIANA Muhammad Eko Irawanto Primadhanty B Primadhanty. R. S. Bhadra Suci Widhiati Ummi Rinandari