Department of Biology, Faculty of Science and Technology, Universitas Airlangga Surabaya, Surabaya, East Java, Indonesia.
Department of Medical Biochemistry, College of Health Sciences, Osun State University, Osogbo, Nigeria.
PLoS One. 2024 Aug 14;19(8):e0305348. doi: 10.1371/journal.pone.0305348. eCollection 2024.
The emergence of antimicrobial resistance has led to an urgent need for novel antimicrobial drugs. This study aimed to determine the antioxidant and antimicrobial potentials in silico and in vitro of Pandanus amaryllifolius Roxb. ethanolic extract. The extracts were subjected to gas chromatography-mass spectrometry (GC-MS) analysis to identify the compounds. In silico antimicrobial studies were performed to gain insights into the possible mechanism of action of the active compounds as antimicrobials. The antimicrobial activities of the ethanolic extracts were assessed using the agar well diffusion method against the Surabaya strain of Escherichia coli and Staphylococcus aureus. Antioxidant properties of the extract were done using DPPH (2,2-diphenyl-1-picryl-hydrazyl-hydrate) and ABTS [2,2'-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid)] inhibition assays. The phytochemical screening revealed that the extract has high flavonoids and polyphenols contents. The GC-MS analysis detected the presence of 52 bioactive substances, with n-hexadecanoic acid, 9, 12, 15-octadecatrienoic acid, benzofuran 2,3-dihydro-. quinic acid, neophytadiene as major compound. Molecular docking studies showed that these compounds have a high binding affinity towards the target proteins, thereby inhibiting their activities. The ethanolic extract of P. amaryllifolius Roxb. exhibited antioxidant and antimicrobial activities. The IC50 were 11.96 ± 4.01 μg/ml and 26.18 ± 7.44 μg/ml for DPPH and ABTS. The diameters of inhibition zones (DIZ) and percentage of inhibition (PI) were calculated and varied for every single pathogen 16.44 ± 1.21mm/66.76 ± 4.92% (50%) and 21.22 ± 0.11mm/82.49 ± 3.91% (50%) for E. coli and S. aureus (DIZ/PI) respectively. Overall, this study provides information on the mechanism responsible for P. amaryllifolius Roxb. extract as a natural antimicrobe and lays the foundation for further studies to isolate and characterize the active compounds as antimicrobial candidates.
抗菌药物的出现使得人们迫切需要新的抗菌药物。本研究旨在从抗氧化和抗菌潜力方面，确定石菖蒲乙醇提取物的体内和体外活性。提取物经过气相色谱-质谱（GC-MS）分析以鉴定化合物。采用计算机模拟的方法研究抗菌药物，以深入了解活性化合物作为抗菌药物的可能作用机制。采用琼脂孔扩散法，评估了乙醇提取物对泗水大肠杆菌和金黄色葡萄球菌的抗菌活性。采用 DPPH（2,2-二苯基-1-苦基肼基-水）和 ABTS [2,2'- 联氮-双（3-乙基苯并噻唑啉-6-磺酸）]抑制试验测定提取物的抗氧化特性。植物化学筛选表明，该提取物具有较高的类黄酮和多酚含量。GC-MS 分析检测到 52 种生物活性物质的存在，其中包括正十六烷酸、9,12,15-十八碳三烯酸、苯并呋喃 2,3-二氢-、奎宁酸、新 Phytadiene 等主要化合物。分子对接研究表明，这些化合物与靶蛋白具有很高的结合亲和力，从而抑制了它们的活性。菖蒲乙醇提取物具有抗氧化和抗菌活性。DPPH 和 ABTS 的 IC50 分别为 11.96±4.01μg/ml 和 26.18±7.44μg/ml。每种病原体的抑菌直径（DIZ）和抑菌率（PI）各不相同，大肠杆菌为 16.44±1.21mm/66.76±4.92%（50%），金黄色葡萄球菌为 21.22±0.11mm/82.49±3.91%（50%）。总体而言，本研究提供了有关菖蒲乙醇提取物作为天然抗菌药物的作用机制的信息，为进一步分离和鉴定活性化合物作为抗菌候选物的研究奠定了基础。
