Analisis Penambatan Molekuler Turunan Senyawa Tanin Daun Afrika (Vernonia amygdalina Del) terhadap MurA sebagai Antibakteri
Date
2021Author
Kurniawan, Ilham
Ambarsari, Laksmi
Wahyudi, Setyanto Tri
Metadata
Show full item recordAbstract
Daun Afrika (Vernonia amygdalina Del) mengandung berbagai jenis
metabolit sekunder yang memiliki aktivitas antibakteri seperti tanin dan
turunannya. Penggunaan antibiotik secara berlebihan dapat menyebabkan resistensi
antibiotik, sehingga menurunnya efektivitas obat yang digunakan dalam mencegah
atau mengobati infeksi. Penelitian bertujuan menguji potensi antibakteri senyawa
turunan tanin dari Vernonia amygdalina Del melalui penghambatan terhadap enzim
UDP-N acetylglucosamine enolpyruvyl transferase (MurA) secara penambatan
molekuler dengan parameter berupa jenis ikatan kimia, energi afinitas, dan
konstanta inhibisi dapat menguatkan potensi tanin dan turunannya sebagai
antibakteri. Hasil menunjukkan bahwa beberapa senyawa aktif khas daun Afrika
yaitu accertannin, gallic acid, hamamelitannin, dan petunidin 3-glukoside
diprediksikan memiliki energi afinitas sebesar -7,4; -6,2; -5,6; dan -6,1 kkal/mol
serta konstanta inhibisi sebesar 3,713; 28,205; 77,735; dan 33,397 μm. Ligan uji
menunjukkan aktivitas lebih baik dibanding ligan pembanding yang memiliki
energi afinitas sebesar -4,5 kkal/mol dan konstanta inhibisi sebesar 498,673 μm.
Senyawa aktif tersebut diprediksi dapat menghambat sintesis dinding sel pada
bakteri. African leaves (Vernonia amygdalina Del) contain various types of
secondary metabolites with antibacterial activity such as tannins and its derivatives.
Antibiotic overuse, a key driver of antibacterial resistance has resulted in decreased
effectiveness of drugs used in preventing or treating infections. This study aimed to
examine the potency of tannins and its derivative from Vernonia amygdalina Del
through inhibition of the UDP-N-acetylglucosamine enolpyruvyl transferase
(MurA) enzyme by molecular docking with parameters such as the type of chemical
bond, energy affinity, and inhibition constant strengthens the potential of tannins
and its derivatives as anti-bacterial. The results showed tannins were found to
contain specific active compounds: accertannin, gallic acid, hamamelitannin, and
petunidin 3-glucoside. Prediction of these compounds showed energy affinity equal
to -7,4; -6,2; -5,6; and -6,1 kcal/mol and inhibition constants of 3,713; 28,205;
77,735; and 33,397 μm better inhibition activity than the reference ligand which
have an energy affinity value equal to -4,5 kcal/mol and an inhibition constant of
498,673 μm. The specific active compound Vernonia amygdalina Del prediction
proved to inhibit cell wall synthesis in bacteria.
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- UT - Biochemistry [1327]