Antibacterial Activity of Sengir Mango (Mangifera indica L. Cultivar Sengir) Leaf Extract Against Staphylococcus aureus: In vitro and Molecular Docking Study / Aktivitas Antibakteri Ekstrak Daun Mangga Sengir (Mangifera indica L. Kultivar Sengir) terhadap Staphylococcus aureus: Studi In vitro dan Molecular Docking

The antibacterial potential of the underexplored Mangifera indica L. cultivar Sengir remains poorly understood. This study evaluated the antibacterial activity of Sengir mango leaf extract against Staphylococcus aureus using integrated in vitro and in silico approaches. Leaves were extracted by maceration with 70% ethanol. The extract contained 293.8 mg GAE/g extract of total phenolics and 34.8 mg QE/g extract of total flavonoids. Antibacterial activity was assessed using the disk diffusion method at extract concentrations of 40%, 60%, 80%, and 100%, corresponding to 488, 732, 976, and 1,220 mg/mL, respectively. Ampicillin and 10% DMSO served as the positive and negative control, respectively. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were also determined. For the in silico study, 60 M. indica phytochemicals from IMPPAT were screened using SwissADME and ProTox-III, and seven compounds were docked against penicillin-binding protein 2a (PBP2a; PDB ID: 4CJN) using PyRx. The extract produced concentration-dependent inhibition zones of 11.00–17.17 mm, whereas ampicillin produced a 34.50 mm inhibition zone and 10% DMSO showed no inhibition. MIC and MBC values were 48.87 and 73.20 mg/mL, respectively. Guaiol showed the lowest predicted binding energy (-7.0 kcal/mol), whereas PASS analysis identified Pogostol, Myrtenyl acetate, and Bicyclogermacrene as potential antibacterial compounds. Overall, Sengir mango leaf extract showed antibacterial activity against S. aureus, while computational analysis identified Guaiol and Pogostol as promising bioactive candidates for further validation.

Potensi antibakteri kultivar Sengir dari Mangifera indica L. masih belum banyak diteliti. Penelitian ini bertujuan mengevaluasi aktivitas antibakteri ekstrak daun mangga Sengir terhadap Staphylococcus aureus menggunakan pendekatan in vitro dan in silico. Daun diekstraksi dengan metode maserasi menggunakan etanol 70%. Ekstrak mengandung fenolik total sebesar 293,8 mg GAE/g ekstrak dan flavonoid total sebesar 34,8 mg QE/g ekstrak. Aktivitas antibakteri diuji dengan metode difusi cakram pada konsentrasi ekstrak 40%, 60%, 80%, dan 100%, yang masing-masing setara dengan 488, 732, 976, dan 1.220 mg/mL. Ampisilin dan DMSO 10% digunakan sebagai kontrol positif dan kontrol negatif. Nilai minimum inhibitory concentration (MIC) dan minimum bactericidal concentration (MBC) juga ditentukan. Pada studi in silico, sebanyak 60 senyawa fitokimia M. indica dari basis data IMPPAT diseleksi menggunakan SwissADME dan ProTox-III, kemudian tujuh senyawa yang memenuhi kriteria dilakukan molecular docking terhadap penicillin-binding protein 2a (PBP2a; PDB ID: 4CJN) menggunakan PyRx. Ekstrak menghasilkan zona hambat yang meningkat seiring peningkatan konsentrasi, yaitu 11,00–17,17 mm, sedangkan ampisilin menghasilkan zona hambat sebesar 34,50 mm dan DMSO 10% tidak menunjukkan zona hambat. Nilai MIC dan MBC berturut-turut adalah 48,87 dan 73,20 mg/mL. Guaiol menunjukkan prediksi energi ikatan terendah (-7,0 kkal/mol), sedangkan analisis PASS mengidentifikasi Pogostol, Myrtenyl acetate, dan Bicyclogermacrene sebagai senyawa yang berpotensi memiliki aktivitas antibakteri. Secara keseluruhan, ekstrak daun mangga Sengir menunjukkan aktivitas antibakteri terhadap S. aureus, sementara analisis komputasional mengidentifikasi Guaiol dan Pogostol sebagai kandidat senyawa bioaktif yang menjanjikan untuk divalidasi lebih lanjut.