Prediksi Stabilitas Mucroporin sebagai Kandidat Obat Berbasis Peptida melalui Simulasi Dinamika Molekular

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Published: Dec 28, 2020
DOI: https://doi.org/10.25077/jsfk.7.3.210-217.2020
Keywords:
racun kalajengking (Lychas mucronatus), molekul peptida Mucroporin, simulasi dinamika molekular, studi in silico

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Taufik Muhammad Fakih
Program Studi Farmasi, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Islam Bandung
https://orcid.org/0000-0001-7155-4412
Mentari Luthfika Dewi
Program Studi Farmasi, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Islam Bandung
Eky Syahroni
Program Studi Farmasi, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Islam Bandung

Abstract

Beberapa peptida yang terkandung dalam racun kalajengking (Lychas mucronatus) menunjukkan beragam aktivitas biologis dengan spesifisitas tinggi terhadap target. Peptida ini memiliki efek potensial terhadap mikroba dan menunjukkan potensi untuk memodulasi berbagai mekanisme biologis yang terlibat dalam imunitas, saraf, kardiovaskular, dan penyakit neoplastik. Keragaman struktural dan fungsional yang penting dari peptida tersebut membuktikan bahwa peptida dari racun kalajengking dapat digunakan dalam pengembangan obat spesifik baru. Melalui penelitian ini akan dilakukan identifikasi, evaluasi, dan eksplorasi terhadap stabilitas peptida Mucroporin yang diproduksi dari racun kalajengking dengan menggunakan simulasi dinamika molekular. Sekuens molekul peptida Mucroporin dimodelkan dengan menggunakan server PEPstrMOD. Konformasi terbaik hasil pemodelan dipilih untuk diamati stabilitasnya dengan menggunakan software Gromacs 2016.3. Trajektori yang terbentuk kemudian dianalisis berdasarkan visulasiasi dengan menggunakan software VMD 1.9.4 serta dilakukan analisis grafik RMSD dan RMSF. Hasil analisis trajektori dari simulasi dinamika molekular membuktikan bahwa molekul peptida Mucroporin-S2 memiliki stabilitas yang paling baik. Dengan demikian, molekul peptida tersebut diprediksi dapat dipilih sebagai kandidat obat berbasis peptida.

Article Details

How to Cite
Fakih, T. M., Dewi, M. L., & Syahroni, E. (2020). Prediksi Stabilitas Mucroporin sebagai Kandidat Obat Berbasis Peptida melalui Simulasi Dinamika Molekular. Jurnal Sains Farmasi & Klinis, 7(3), 210–217. https://doi.org/10.25077/jsfk.7.3.210-217.2020
Issue
Vol. 7 No. 3 (2020): J Sains Farm Klin 7(3), Desember 2020
Section
Research Articles
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