Acid condensate (AC) is reported to exhibit various biological activities including antimicrobial, antioxidant, and anti-inflammatory that are valuable in assisting wound healing process. In this study, concentrated AC extract (CACE) obtained from microwave-assisted pyrolysis of palm kernel shells (PKS) was fractionated where fractions with similar profiles were pooled into combined fractions of acid condensate (CFACs). CACE and CFACs were evaluated for their total phenolic content, antioxidant activities, and antibacterial activity towards Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Enterococcus faecalis. The antibacterial mode of action of CFAC 3 compounds was evaluated by its binding energy and physical bond formation towards bacterial DNA gyrase (PDB ID: 4DUH) and tyrosyl-tRNA synthetase (PDB ID: 1JIJ) using molecular docking software AutoDock Vina. A total of 134 fractions were obtained and pooled into 9 combined fractions (CFAC 1–9). CFAC 3 had the highest total phenolic content (624.98 ± 8.70 µg gallic acid/mg of sample) that accounted for its highest antioxidant activities (1247.13 ± 27.89 μg Trolox/mg sample for ABTS assay and 24.26 ± 0.71 mmol Fe(II)/mg sample for ferric reducing antioxidant power, FRAP). Gas chromatography–mass spectrometry (GC–MS) revealed phenol and its derivatives as the major compounds in CFAC 3. CFAC 3 exhibited highest antibacterial activities against all tested bacteria particularly against S. aureus with minimum inhibitory concentration (MIC) of 0.10 mg/mL and minimum bactericidal concentration (MBC) of 0.33 ± 0.11 mg/mL. Molecular docking analysis suggested favorable binding energy for all chemical compounds present in CFAC 3, notably 1-butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl) towards the DNA gyrase (-6.9 kcal/mol), and tyrosyl-tRNA synthetase (− 7.5 kcal/ mol) enzymes. To conclude, CFAC 3 from PKS has the potential to be used as an alternative antibacterial agent which is biodegradable and a more sustainable supply of raw materials.

据报道，酸缩合物 (AC) 具有多种生物活性，包括抗菌、抗氧化和抗炎，这些活性对帮助伤口愈合过程很有价值。在这项研究中，从棕榈仁壳 (PKS) 的微波辅助热解中获得的浓缩 AC 提取物 (CACE) 被分馏，其中具有相似特征的馏分被汇集到酸缩合物 (CFAC) 的组合馏分中。评估 CACE 和 CFAC 的总酚含量、抗氧化活性和对大肠杆菌、铜绿假单胞菌、金黄色葡萄球菌和粪肠球菌的抗菌活性. CFAC 3 化合物的抗菌作用模式通过其对细菌 DNA 促旋酶 (PDB ID: 4DUH) 和酪氨酰-tRNA 合成酶 (PDB ID: 1JIJ) 的结合能和物理键形成来评估，使用分子对接软件 AutoDock Vina。共获得 134 个馏分并合并为 9 个组合馏分 (CFAC 1-9)。CFAC 3 具有最高的总酚含量（624.98 ± 8.70 µg 没食子酸/mg 样品），这说明其抗氧化活性最高（ABTS 测定为 1247.13 ± 27.89 µg Trolox/mg 样品和 24.26 ± 0.71 mmol Fe(II)/mg铁降低抗氧化能力的样品，FRAP）。气相色谱-质谱 (GC-MS) 显示苯酚及其衍生物是 CFAC 3 中的主要化合物。CFAC 3 对所有测试细菌表现出最高的抗菌活性，尤其是对金黄色葡萄球菌的最低抑菌浓度 (MIC) 为 0.10 mg/mL，最低杀菌浓度 (MBC) 为 0.33 ± 0.11 mg/mL 。分子对接分析表明存在于 CFAC 3 中的所有化合物的有利结合能，特别是 1-丁酮、3-甲基-1-(2,4,6-三羟基-3-甲基苯基) 对 DNA 旋转酶 (-6.9 kcal/mol ) 和酪氨酰-tRNA 合成酶 (− 7.5 kcal/mol) 酶。总而言之，PKS 的 CFAC 3 有可能用作可生物降解的替代抗菌剂和更可持续的原材料供应。