STUDI IN SILICO MEKANISME AKSI SENYAWA FTALOSIANINA SEBAGAI KANDIDAT FOTOSENSITIZER DALAM TERAPI COVID-19 BERBASIS FOTODINAMIKA

Taufik Muhammad Fakih; Nurfadillah Hazar; Mentari Luthfika Dewi; Tanisa Maghfira Syarza; Anggi Arumsari

doi:10.29313/jiff.v4i1.6784

STUDI IN SILICO MEKANISME AKSI SENYAWA FTALOSIANINA SEBAGAI KANDIDAT FOTOSENSITIZER DALAM TERAPI COVID-19 BERBASIS FOTODINAMIKA

Taufik Muhammad Fakih, Nurfadillah Hazar, Mentari Luthfika Dewi, Tanisa Maghfira Syarza, Anggi Arumsari

Abstract

Sindrom pernapasan akut parah coronavirus-2 (SARS-CoV-2) yang menyebabkan pandemi penyakit infeksi COVID-19 menggunakan protein spike untuk dapat berikatan dengan reseptor angiotensin-converting enzyme 2 (ACE2) dalam sel inang. Beberapa kandidat obat yang diprediksi dapat digunakan dalam terapi COVID-19 seperti, tegobuvir, sonidegib, siramesine, antrafenine, bemcentinib, itacitinib, dan ftalosianina secara farmakologis mampu menghambat penempelan SARS-CoV-2 pada reseptor ACE2. Akan tetapi menariknya terapi fotodinamika dengan memanfaatkan senyawa ftalosianina berlabel logam saat ini dapat menjadi pilihan alternatif untuk terapi COVID-19 karena lebih efektif dan spesifik terhadap target.Melalui penelitian ini akan dilakukan identifikasi, evaluasi, dan eksplorasi afinitas serta interaksi molekular yang mampu menggambarkan mekanisme aksi dari struktur senyawa turunan ftalosianina berlabel logam secara in silico. Simulasi penambatan molekular ligan-protein antara besi ftalosianina (Fe-Pc) dan galium ftalosianina (Ga-Pc) terhadap protein spike SARS-CoV-2 dilakukan dengan menggunakan perangkat lunak PatchDock. Berdasarkan simulasi penambatan molekular ligan-protein diperoleh hasil bahwa senyawa galium ftalosianina (Ga-Pc) memiliki afinitas yang lebih baik dibandingkan besi ftalosianina (Fe-Pc) terhadap protein spike SARS-CoV-2, dengan nilai masing-masing sebesar −2366,68 kJ/mol dan −2225,55 kJ/mol. Dari hasil tersebut dapat diprediksi perbedaan struktur molekul senyawa turunan ftalosianina berlabel logam terbukti mampu mempengaruhi mekanisme aksi terhadap protein target. Dengan demikian, hasil penelitian ini diharapkan dapat menjadi referensi dalam mendesain struktur senyawa turunan ftalosianina berlabel logam sebagai kandidat fotosensitizer dalam terapi fotodinamika untuk penyakit infeksi COVID-19.

Keywords

COVID-19, Protein Spike SARS-CoV-2, Terapi Fotodinamika, Ftalosianina, Studi In Silico

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DOI: https://doi.org/10.29313/jiff.v4i1.6784