UJI AKTIVITAS ANTIBAKTERI DARI EKSTRAK N-HEKSAN KAYU SECANG (Caesalpinia sappan L.) TERHADAP BAKTERI Salmonella enterica SECARA IN VITRO DAN IN SILICO
DOI:
https://doi.org/10.24843/JCHEM.2026.v20.i02.p07Keywords:
antibakteri, Caesalpinia sappan L., ekstrak n-heksan, in silico, in vitro, Salmonella entericaAbstract
This study aims to evaluate the antibacterial activity of n-hexane extracts from secang wood powder (Caesalpinia sappan L.) against Salmonella enterica ATCC 14028 in vitro and in silico. The extraction process used maceration with n-hexane as the solvent. In vitro antibacterial activity was tested using the paper-disc diffusion method and the microdilution method to determine the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC). The compounds present in the n-hexane extract were analyzed using GC-MS. In silico antibacterial activity was assessed using molecular docking with PyRx Autodock Vina software on the DNA gyrase B receptor (PDB ID: 6J90). The research findings indicate that the n-hexane extract exhibits antibacterial activity with an inhibition zone diameter of 10.3 mm, an MIC value of 156.25 µg/mL, and an MBC value of 312.5 µg/mL. The results of the GC-MS analysis of the samples showed 13 detectable peaks representing 10 major compounds. Based on the analysis of the 10 major chemical components, one compound was found to have the most significant percentage of peak area and was the only compound that met Lipinski’s Rules of Five: Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-. The results of the in silico analysis show that the compound Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- exhibits a binding affinity of -7.4 kcal/mol. Physicochemical predictions indicate that Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- possesses favorable physicochemical characteristics. The active compound Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- has the potential to inhibit the function of the DNA gyrase B protein ID 6J90.
ABSTRAK
Penelitian ini bertujuan untuk menguji aktivitas antibakteri ekstrak n-heksan dari serbuk kayu secang (Caesalpinia sappan L.) terhadap bakteri Salmonella enterica ATCC 14028 secara in vitro dan in silico. Proses ekstraksi menggunakan cara maserasi dengan pelarut n-heksana. Aktivitas antibakteri secara in vitro diuji dengan metode difusi cakram kertas dan metode mikrodilusi untuk menentukan konsentrasi hambat minimum (KHM) dan konsentrasi bunuh minimum (KBM). Analisis senyawa yang terkandung dalam ekstrak n-heksan menggunakan instrumen GC-MS. Aktivitas antibakteri secara in silico menggunakan molecular docking dengan perangkat lunak PyRx Autodock Vina pada reseptor DNA gyrase B (PDB ID : 6J90). Temuan penelitian menunjukkan bahwa ekstrak n-heksan memiliki aktivitas antibakteri dengan diameter zona hambat 10,7 mm serta nilai KHM sebesar 156,25 µg/mL dan KBM sebesar 312,5 µg/mL. Hasil analisis GC-MS pada sampel yang dilakukan menunjukkan 13 puncak (peak) terdeteksi yang mewakili 10 komponen senyawa utama. Berdasarkan analisis 10 komponen senyawa utama, didapatkan satu senyawa yang memiliki nilai persen area yang paling signifikan dan satu-satunya senyawa yang memenuhi Lipinski Rules of Five yaitu senyawa Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-. Hasil analisis in silico, senyawa Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- menunjukkan nilai afinitas ikatan sebesar -7,4 kkal/mol. Prediksi fisikokimia menunjukkan bahwa Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- mempunyai karakteristik fisikokimia yang baik. Senyawa aktif Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)- berpotensi menghambat fungsi protein DNA gyrase B ID 6J90.
Kata kunci: antibakteri, Caesalpinia sappan L., ekstrak n-heksan, in silico, in vitro, Salmonella enterica.
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