Analisis Potensi Senyawa Bioaktif Cassia alata sebagai Antijamur terhadap Trichophyton rubrum melalui Molecular Docking dan Prediksi ADMET
DOI:
https://doi.org/10.21093/fz1yrz90Keywords:
Cassia alata, methyl ester, Hexadecanoic acid, Trichophyton rubrum, molecular docking, ADMEAbstract
Trichophyton rubrum merupakan salah satu dermatofit penyebab infeksi kulit, rambut, dan kuku. Cassia alata L. diketahui memiliki aktivitas antijamur sehingga berpotensi menjadi sumber senyawa bioaktif. Penelitian ini bertujuan menganalisis potensi Hexadecanoic acid, methyl ester dari C. alata terhadap T. rubrum melalui molecular docking dan prediksi ADME. Penelitian dilakukan secara in silico menggunakan protein target Aspartate β-semialdehyde dehydrogenase (ASADH). Molecular docking dilakukan menggunakan PyRx, sedangkan prediksi sifat fisikokimia dan ADME menggunakan Lipinski’s Rule of Five dan SwissADME. Hasil docking menunjukkan nilai binding affinity Hexadecanoic acid, methyl ester sebesar −5,4 kcal/mol, sedangkan ketokonazol sebesar −8,4 kcal/mol. Senyawa memenuhi Lipinski’s Rule of Five dengan berat molekul 270,45 g/mol, H-bond donor 0, H-bond acceptor 2, dan logP 4,41. Prediksi ADME menunjukkan absorpsi gastrointestinal tinggi dan bioavailability score 0,55. Hasil tersebut menunjukkan bahwa Hexadecanoic acid, methyl ester berpotensi sebagai kandidat antijamur terhadap T. rubrum dan dapat dikaji lebih lanjut.
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