Sains Malaysiana 48(5)(2019): 1019–1024

http://dx.doi.org/10.17576/jsm-2019-4805-10

 

The Potential Effect of Fatty Acids from Pliek U on Epidermal Fatty Acid Binding Protein: Chromatography and Bioinformatic Studies

(Potensi Kesan Asid Lemak daripada Pliek U pada Epidermis Asid Lemak Pengikat Protein: Kajian Kromatografi dan Bioinformatik)

 

NANDA EARLIA¹, RAHMAD RAHMAD², MOHAMAD AMIN³, CRS PRAKOESWA⁴, KHAIRAN KHAIRAN⁵ & RINALDI IDROES^2,5*

 

¹Graduate School of Mathematics and Applied Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia

 

²Department of Chemistry, Faculty Mathematics and Natural Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia

 

³Department of Biology, Faculty Mathematics and Natural Sciences, Universitas Negeri Malang, Malang, 65145, Indonesia

 

⁴Faculty of Medicine, Universitas Airlangga - Dr Soetomo General Academic Hospital, Surabaya, 60132, Indonesia

 

⁵Department of Pharmacy, Faculty Mathematics and Natural Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia

 

Received: 15 January 2019/Accepted: 28 March 2019

 

ABSTRACT

The fatty acid analysis in Pliek U and its bioinformatic studies had been carried out and reported. Herein, fatty acids were analyzed by gas chromatography-mass spectrometry (GC-MS), meanwhile their potential effect, based on its interaction on epidermal fatty acid binding protein (E-FABP), was studied by bioinformatics approach with reverse docking technique using palmitic acid as a control compound. For the stated purpose, two Pliek U extracts were prepared, namely ethanolic Pliek U extract (EPUE), and ethanolic of residue hexane of Pliek U extract (ERHPUE). The GC-MS results showed that lauric, myristic, palmitic, and oleic acids were predominant, followed by stearic, capric, linoleic, and caprylic acids. Reverse docking results showed that linoleic acid had the lowest binding affinity (-5.9 kcal/mol) and was strongly bound to E-FABP on the same side of amino acid GLN A98, ARG A81, TYR A22, and LYS A61. These findings indicated that linoleic acid has a potential utility as a drug candidate for atopic dermatitis treatment.

 

Keywords: Atopic dermatitis; bioinformatics; E-FABP; fatty acid; gas chromatography; Pliek U

 

ABSTRAK

Analisis asid lemak pada Pliek U dan kajian bioinformatiknya telah dijalankan dan dilaporkan. Di sini, asid lemak telah dianalisis menggunakan spektrometri gas kromatografi - jisim (GC-MS), sementara kesan potensinya berdasarkan interaksi pada epidermis asid lemak pengikat protein (E-FABP), dikaji menggunakan kaedah bioinformatik dengan teknik dok berbalik menggunakan asid palmitik sebagai sebatian kawalan. Untuk maksud yang dinyatakan, dua ekstrak Pliek U telah disediakan; ekstrak etanolik Pliek U (EPUE) dan ekstrak etanolik sisa heksana Pliek U (ERHPUE). Keputusan GC-MS menunjukkan asid laurik, miristik, palmitik dan oleik adalah pradominan, diikuti oleh asid stearik, caprik, linoleik dan caprilik. Keputusan dok berbalik menunjukkan asid linoleik mempunyai pengikat afiniti terendah (-5.9 kcal/mol) dan terikat dengan kuat kepada E-FABP pada sisi yang sama dengan asid amino GLN A98, ARG A81, TYR A22 dan LYS A61. Penemuan ini menunjukkan asid linoleik mempunyai potensi utiliti sebagai calon dadah untuk rawatan dermatitis atopik.

 

Kata kunci: Asid lemak; dermatitis atopik; bioinformatik; E-FABP; kromatografi gas; Pliek U

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*Corresponding author; email: rinaldi.idroes@unsyiah.ac.id