Senyawa Alami Bawang Putih Tunggal sebagai Inhibitor LpxC Bakteri Pseudomonas aeruginosa melalui Virtual Screening

Nur Fitriana, Sri Rahayu Lestari, Betty Lukiati

Abstract


Pseudomonas aeruginosa merupakan salah satu bakteri Gram negatif penyebab infeksi nosokomial yang memiliki resistensi tinggi terhadap berbagai antibiotik karena adanya lipid A, komponen LPS bersifat toksik pada inang. Sintesis lipid A dimulai dari Kdo2 -lipid A, difasilitasi oleh enzim LpxC. Enzim LpxC merupakan target pengembangan antibiotik karena adanya kofaktor Zn2+. Bawang putih tunggal merupakan herbal potensial pengganti antibiotik sintetis. Alliin, Allicin dan Ajoene yang terkandung dalam bawang putih tunggal memiliki aktivitas antibakteri. Penelitian ini bertujuan memprediksi potensi senyawa organosulfur bawang putih tunggal sebagai agen antibakteri melalui virtual screening menggunakan metode molecular docking. Metode yang dilakukan adalah memprediksi potensi senyawa organosulfur menggunakan web server PASS dan melakukan docking untuk mengetahui interaksi ligan-protein target. Hasil penelitian menunjukkan, senyawa organosulfur berpotensi sebagai antibakteri, antibiotik, dan immunomodulator. Aktivitas antibakteri terbaik ditunjukkan oleh senyawa Alliin dengan nilai afinitas pengikatan -5,2 kkal/mol. Semua senyawa organosulfur memiliki sisi aktif yang sama dengan kontrol (Ciprofloxacin dan Imipenem) pada enzim LpxC. Sisi aktif ditunjukkan dengan adanya residu asam amino (Ser295, Val182, dan Tyr 296) yang berikatan dengan ikatan hidrogen dan interaksi hidrofobik (Phe152, Phe181, Gly85, Phe176, Ala84, Val182, Ser180, Ile241, Leu86, Tyr296, Ser295 dan Met297) antara ligan-protein target.


Keywords


LpxC enzyme, Molecular Docking, Nosocomial Infections, Organosulfur Compound, P. aeruginosa

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DOI: https://doi.org/10.18196/mm.180111

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