Prediksi Senyawa Fraksi Etil Asetat Daun Semanggi (Marsilea crenata Presl.) Sebagai Agen Antineuroinflamasi (agonis ERα)

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Vol. 1 No. 01 (2023): JIKSN: Jurnal Ilmu Kesehatan dan Sains Nusantara
Published: Jan 13, 2023
Keywords:
Marsilea crenata Presl.,
neuroinflamasi,
penyakit Parkinson,
ERα,
1A52 Marsilea crenata Presl.,
neuroinflamation,
Parkinson's disease,
ERα,
1A52

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Faisal Akhmal Muslikh
Magister Ilmu Farmasi, Departemen Ilmu Kefarmasian, Fakultas Farmasi, Universitas Airlangga, Surabaya, Jawa Timur, Indonesia
Reyhan Rahma Samudra
Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, UIN Maulana Malik Ibrahim, Malang, Jawa Timur, Indonesia
Burhan Ma'arif
Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, UIN Maulana Malik Ibrahim, Malang, Jawa Timur, Indonesia

Abstract

Neurodegenerative disease is caused by a lack of estrogen, which is often caused by neuroinflammation. Marsilea crenata Presl. (Semanggi) phytoestrogen chemicals can give estrogenic activity via a mechanism that is dependent on the estrogen receptor (ER). The aims of this study is to predict the antineuroinflammatory activity of the ethyl acetate fraction of Marsilea crenata Presl. leaves with ER receptors (PDB ID: 1A52). The physicochemical features of compounds derived from metabolite profiling in the ethyl acetate fraction of Marsilea crenata Presl. leaves were investigated using the online web program SwissADME. Avogadro 1.0.1 was used for geometric optimization of the molecule, and Autodock vina was used for molecular docking of the drug to the 1A52 receptor (PyRx 0.8). The Biovia Discover Studio 2021 was used for interaction visualization, while the ProTox II online web application was used for chemical toxicity analysis. The chemical profiling of the ethyl acetate fraction of Marsilea crenata Presl. leaves yielded six compounds that were ER receptor agonists (PDB ID: 1A52). The ethyl acetate fraction of Marsilea crenata Presl. leaves is projected to be an antineuroinflammatory therapy for Parkinson's disease.

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