VALIDASI INTERNAL KOMPLEKS RESEPTOR HMG-COA REDUKTASE (PDB:1HWK)-ATORVASTATIN SEBAGAI ANTIKOLESTEROL DENGAN METODE PENAMBATAN ULANG
Abstract
Latar Belakang: Penyakit hiperlipidemia cenderung terjadi pada kelompok usia produktif dari umur 25 tahun keatas, tanpa pengobatan yang tepat dapat menyebabkan timbulnya penyakit penyumbatan pembuluh darah, berubah menjadi penyakit stroke, jantung koroner, dan penyakit berbahaya lainnya. Atorvastatin merupakan obat yang mengurangi resiko penyakit kardiovaskular, dengan menghambat produksi kolesterol endogen dalam hati. Kimia komputasi mampu memberikan informasi interaksi antara atorvastatin dengan reseptornya, salah satunya berupa validasi internal melalui penambatan ulang. Tujuan: Melakukan validasi berupa penambatan ulang ligan atorvastatin terhadap reseptor HMG-CoA reduktase (kode pdb: 1HWK). Metode: Metode yang digunakan berupa uji in silico melalui penambatan ulang ligan terhadap reseptor sebanyak 1000 kali, model yang digunakan adalah hasil dari simulasi dinamika molekul snapshot nomor 87. Hasil: Validasi internal dengan penambatan ulang ligan atorvastatin sebanyak 1,000 kali menghasilkan nilai Root Mean Square Deviation (RMSD) sebesar 0,3181Å. Kesimpulan: Data RMSD menunjukan atorvastatin bersifat stabil dalam kantung ikatan reseptor, sistem yang dihasilkan bersifat reprodusibel dan dapat digunakan untuk keperluan penelitian selanjutnya berupa validasi retrospektif
Kata Kunci: Penambatan Ulang, Atorvastatin, HMG-CoA Reduktase, Kimia Komputasi
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DOI: https://doi.org/10.36729/bi.v14i2.963
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