STUDI IN SILICO PENGHAMBATAN AKTIVASI TLR2 EKSTRAK ETANOL DAUN SEMANGGI (Marsilea crenata Presl.)

Burhan Ma'arif; Destiya Argo Pamuji Fihuda; Faisal Akhmal Muslikh; Sadli Syarifuddin; Begum Fauziyah; Dewi Perwito Sari; Mangestuti Agil

doi:10.22435/jtoi.v15i1.5792

Burhan Ma'arif UIN Maulana Malik Ibrahim
Destiya Argo Pamuji Fihuda Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, UIN Maulana Malik Ibrahim, Malang, Jawa Timur, Indonesia
Faisal Akhmal Muslikh Magister Ilmu Farmasi, Departemen Ilmu Kefarmasian, Fakultas Farmasi, Universitas Airlangga, Surabaya, Jawa Timur, Indonesia
Sadli Syarifuddin Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, UIN Maulana Malik Ibrahim, Malang, Jawa Timur, Indonesia
Begum Fauziyah Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, UIN Maulana Malik Ibrahim, Malang, Jawa Timur, Indonesia
Dewi Perwito Sari Program Studi Farmasi, Fakultas Sains dan Kesehatan, Universitas PGRI Adi Buana, Surabaya
Mangestuti Agil Departemen Ilmu Farmasi, Fakultas Farmasi, Universitas Airlangga, Surabaya

DOI: https://doi.org/10.22435/jtoi.v15i1.5792

Keywords: Marsilea crenata Presl., Parkinson Disease, neuroinflamasi, in silico

Abstract

Neuroinflamasi dapat menyebabkan Parkinson Disease (PD), dengan salah satu mekanismenya adalah aktivasi berlebih toll-like receptor 2 (TLR2) akibat abnormalitas dan agregasi α-synuclein. Pada penelitian sebelumnya, daun semanggi (Marsilea crenata Presl.) terbukti menghambat progresivitas neuroinflamasi melalui jalur estrogen-receptor (ER) dependent. Penelitian ini bertujuan untuk memprediksi efek antineuroinflamasi daun semanggi pada jalur penghambatan aktivasi TLR2 (3A7B) dengan studi in silico. Senyawa hasil metabolite profiling sekunder dari ekstrak etanol 96% daun semanggi dipreparasi dengan ChemDraw Ultra 12.0, kemudian dilihat sifat farmakokinetik dan farmakodinamiknya dengan webtool SwissADME. Optimasi geometri pada senyawa dilakukan menggunakan Avogadro 1.0.1 dan molecular docking senyawa terhadap reseptor 3A7B dilakukan menggunakan Autodock vina (PyRx 0.8). Tahap visualisasi interaksi dilakukan dengan Biovia Discover Studio 2021, sedangkan nilai toksisitas senyawa dianalisis menggunakan ProTox II online tool. Hasil penelitian menunjukkan terdapat empat senyawa yang memenuhi kriteria farmakokinetik, farmakodinamik, toksisitas, serta mempunyai kemiripan dengan native ligand N-acetyl-D-glucosamine. Oleh karena itu, ekstrak etanol 96% daun semanggi diprediksi memiliki potensi sebagai penghambat progresifitas PD dengan mekanisme antineuroinflamasi.

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