Studi Aktivitas Senyawa Antibakteri Daun Sirih (Piper betle L.) Terhadap Pseudomonas aeruginosa Secara In Silico = Study Of Antibacterial Compounds of Betel Leaves (Piper betle L.) Against Pseudomonas aeruginosa by In Silico

Elanda, Patrick Jeremy William (2021) Studi Aktivitas Senyawa Antibakteri Daun Sirih (Piper betle L.) Terhadap Pseudomonas aeruginosa Secara In Silico = Study Of Antibacterial Compounds of Betel Leaves (Piper betle L.) Against Pseudomonas aeruginosa by In Silico. Bachelor thesis, Universitas Pelita Harapan.

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Abstract

Pseudomonas aeruginosa merupakan salah satu bakteri patogen yang dapat menyebabkan penyakit saluran pernafasan kronis seperti kistik fibrosis serta dapat menyebabkan perubahan warna pada daging ikan, pyocyanin merupakan metabolit sekunder yang berperan dalam hal tersebut. Daun sirih (Piper betle L.) merupakan salah satu tumbuhan herbal yang diketahui memiliki sifat antibakteri. Penelitian ini dilakukan menggunakan perangkat komputer dan program untuk melakukan molecular docking dari ligan terhadap protein yang digunakan yaitu PhzS, preparasi protein dilakukan dengan menggunakan aplikasi PyMOL dan struktur ligan dioptimasi menggunakan aplikasi PyRx. Molecular docking dilakukan menggunakan aplikasi AutoDock Wizard yang terdapat di aplikasi PyRx setelah dilakukannya validasi metode. Visualisasi interaksi dilakukan menggunakan Discovery Studio 2020 dan PyMOL. Protein yang digunakan adalah PhzS (5-methylphenazine-1-carboxylate 1-monooxygenase) dan ligan yang digunakan adalah FAD (Flavine Adenine Dinucleotide), eugenol, isoeugenol, dan meropenem. Hasil yang diperoleh pada penelitian ini adalah eugenol dan isoeugenol dapat berperan sebagai antibakteri terhadap Pseudomonas aeruginosa dengan menginhibisi protein PhzS yang berperan dalam produksi pyocyanin dengan berikatan melalui sisi aktif ARG191 melalui pembentukan ikatan hidrogen dan diperoleh nilai energi ikatan sebesar -6,1 kkal/mol. Interaksi lain yang terjadi antara eugenol dan isoeugenol dengan protein PhzS adalah pembentukan ikatan hidrofobik. / Pseudomonas aeruginosa ar pathogenic bacteria that can cause chronic respiratory tract illness such as cystic fibrosis and can cause the discoloration of fish, pyocyanin is the secondary metabolite of Pseudomonas aeruginosa which causes such cases. Betel leaf (Piper betle L.) is one of commonly known medicinal plants which has antibacterial activity. This study iwass conducted by using a computer hardware and program used for molecular docking. Protein is prepared by using PyMOL and ligand structure is optimized by using PyRx. Molecular docking is conducted by using AutoDock Wizard which is available in PyRx after conducting method validation. Interaction visualization is done by using Discovery Studio 2020 and PyMOL. The protein used in this study was PhzS (5-methylphenazine-1-carboxylate 1-monooxygenase) and the ligand used in this study were FAD (Flavine Adenine Dinucleotide), eugenol, isoeugenol, and meropenem. The result in this studywas eugenol and isoeugenol could act as an antibacterial against Pseudomonas aeruginosa through the inhibition of PhzS which plays a role in the production of pyocyanin by binding using ARG191 as an active site through hydrogen bond with binding affinity of -6,1 kcal/mol. another interaction between eugenol, isoeugenol and PhzS was a hydrophobic bond.

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