Universitas Bakti Tunas HusadaANALISIS IKATAN HIDROGEN PADA PEMBENTUKAN GARAM DAN KOKRISTAL KETOKONAZOL
Abstract
Pembentukan kokristal adalah salah satu cara peningkatan laju pelarutan zat aktif. Kokristal memiliki potensi untuk diterapkan pada semua zat aktif, termasuk asam, basa, dan molekul yang tidak terionisasi. Penelitian ini bertujuan untuk menganalisis parameter fisikokimia secara komputasi pembentukan garam ketokonazol-asam fumarat (KTZ-AF) dan kokristal ketokonazol-asam okslat (KTZ-AO). Crystallographic information file (cif) diunduh dari Open Crystallography Database kemudian divisualisasikan menggunakan software Mercury 3.3. Analisis donor-akseptor proton dan muatan atom-atom ketokonazol, asam fumarat dan asam oksalat dilakukan menggunakan software Marvin Sketch 5.2.5.1. Berdasarkan hasil analisis perhitungan nilai pKa, pembentukan garam ketokonazol dan asam oksalat terjadi karena selisih nilai pKa antara pKa basa (ketokonazol) dan pKa asam (asam oksalat) lebih dari 3 (6,42 – 1,36 = 5,06). Berbeda dengan hasil interaksi asam oksalat, interaksi antara ketokonazol dan asam fumarat tidak terjadi transfer proton pada cincin imidazole dan gugus hidroksil pada asam fumarat dan selisih nilai pKa antara ketokonazol (pKa basa) dan asam fumarat (pKa asam) diperoleh nilai 2,87 (6,42 – 3,55).
Kata kunci: Garam, kokristal, ketokonazol, ikatan hydrogen
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