STUDI IN SILICO PENGHAMBATAN AKTIVASI TLR2 EKSTRAK ETANOL DAUN SEMANGGI (Marsilea crenata Presl.)
نویسندگان
چکیده
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 pada penghambatan TLR2 (3A7B) studi in silico. Senyawa hasil metabolite profiling sekunder dari ekstrak etanol 96% dipreparasi ChemDraw Ultra 12.0, kemudian dilihat sifat farmakokinetik farmakodinamiknya webtool SwissADME. Optimasi geometri senyawa dilakukan menggunakan Avogadro 1.0.1 molecular docking terhadap reseptor 3A7B Autodock vina (PyRx 0.8). Tahap visualisasi interaksi Biovia Discover Studio 2021, sedangkan nilai toksisitas dianalisis ProTox II online tool. Hasil menunjukkan terdapat empat yang memenuhi kriteria farmakokinetik, farmakodinamik, toksisitas, serta mempunyai kemiripan native ligand N-acetyl-D-glucosamine. Oleh karena itu, diprediksi memiliki potensi sebagai penghambat progresifitas PD mekanisme antineuroinflamasi.
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ژورنال
عنوان ژورنال: Jurnal Tumbuhan Obat Indonesia (The Journal of Indonesian Medicinal Plant)
سال: 2022
ISSN: ['2354-8797']
DOI: https://doi.org/10.22435/jtoi.v15i1.5792