Simulasi Inhibisi Aktivitas Enzim α-Amilase dan α-Glukosidase oleh Senyawa Bioaktif Mikroalga Spirulina platensis

Syafrizayanti Syafrizayanti, Adetya Putri, Marniati Salim, Arif Juliari Kusnanda

Abstract

Diabetes Melitus (DM) Tipe 2 merupakan penyakit dengan gejala hiperglikemia dengan jumlah kasus yang meningkat setiap harinya pada populasi dunia. Enzim yang berperan terkait DM Tipe 2 yaitu α-amilase dan α-glukosidase yang bertindak dalam menghidrolisis pati pada pankreas. Target terapi dalam pengobatan DM Tipe 2 yaitu penurunan reabsorpsi glukosa di usus dengan melakukan penghambatan enzim α-amilase dan α-glukosidase. Tujuan penelitian ini adalah untuk mencari senyawa bioaktif yang terkandung dalam ekstrak Spirulina platensis yang berpotensi menjadi inhibitor α-amilase dan α-glukosidase sebagai antidiabetes secara in silico. Metode yang digunakan berupa skrining senyawa aktif dari literatur, farmakokinetika dengan prediksi ADMET, Lipinski’s Rule of Five dan simulasi penambatan molekul dengan program MOE. Berdasarkan hasil skrining dan simulasi penambatan molekul menunjukkan bahwa senyawa 4-amino-benzoat dapat berikatan dengan enzim α-amilase dengan afinitas pengikatan sebesar -4,16 kcal.mol-1 dengan situs pengikatan dengan asam amino His 299 dan Asp 195, dan berikatan dengan enzim α-glukosidase dengan afinitas pengikatan sebesar -4,08 kcal.mol-1 dengan situs pengikatan dengan asam amino Asn 58 dan Arg 17. Hasil ini menunjukkan senyawa 4-amino-benzoat dari mikroalga Spirulina platensis dapat dijadikan sebagai kandidat bahan alami dalam pengobatan antidiabetes.

Inhibition Activity Simulation of α-Amylase and α-Glucosidase Enzyme by Bioactive Compounds of Microalgae Spirulina platensis. Diabetes Mellitus (DM) Type 2 is a disease with symptoms of hyperglycemia, in which its case number is increasing daily in the world population. Enzymes playing a role related to Type 2 DM, namely α-amylase and α-glucosidase, act in hydrolyzing starch in the pancreas. The therapeutic target in treating Type 2 DM is to decrease glucose reabsorption in the intestine by inhibiting the enzymes α-amylase and α-glucosidase. This study aimed to find bioactive compounds in Spirulina platensis extracts that can become α-amylase and α-glucosidase inhibitors as in silico antidiabetics. The method used was screening active compounds from the literature, pharmacokinetics with ADMET predictions, Lipinski’s Rule of Five, and molecular docking simulations with the MOE program. Based on the screening results and molecular docking simulations, it was shown that the 4-amino-benzoic compound could bind to the α-amylase enzyme with a binding affinity of -4.16 kcal.mol-1 with a binding site with the amino acids His 299 and Asp 195, and bind with the α-glucosidase enzyme with a binding affinity of -4.08 kcal.mol-1 with a binding site with the amino acids Asn 58 and Arg 17. These results show that the 4-amino-benzoic compound from Spirulina platensis microalgae can be a candidate for natural ingredients in antidiabetic treatment.

Keywords

α-amylase; α-glucosidase; DM; docking simulation; Spirulina platensis.

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DOI: https://doi.org/10.20961/alchemy.19.2.73120.223-233

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