Babu Venkatadri, Ahamed J Irshad, Paul Agastian, Ali Sajad, Rather Irfan A, Sabir Jamal S M
Department of Plant Biology and Biotechnology, Loyola College (Autonomous), Affiliated to University of Madras, Chennai 600034, Tamil Nadu, India.
Department of Chemistry, Loyola College (Autonomous), Affiliated to University of Madras, Chennai 600034, Tamil Nadu, India.
Plants (Basel). 2023 Sep 22;12(19):3352. doi: 10.3390/plants12193352.
The pharmacological and preventive attributes of extracts from vegetable seeds have garnered widespread recognition within the scientific community. This study systematically assessed the in vitro antibacterial, antioxidant, and anti-breast cancer properties of phytochemicals present in various solvent-based vegetable seed extracts. We also conducted molecular docking simulations to ascertain their interactions with specific target proteins. Besides, nine distinct chemical constituents were identified using gas chromatography-mass spectrometry (GCMS). Remarkably, the ethyl acetate extract exhibited robust inhibitory effects against Gram-positive and Gram-negative bacterial strains. Furthermore, its capacity for 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging was found to be noteworthy, with an IC value of 550.82 ± 1.7 µg/mL, representing a scavenging efficiency of 64.1 ± 2.8%. Additionally, the ethyl acetate extract demonstrated significant hydrogen peroxide (HO) scavenging activity, with a maximal scavenging rate of 44.1 ± 1.70% (IC) at a concentration of 761.17 ± 1.8 µg/mL. Intriguingly, in vitro cytotoxicity assays against human breast cancer (MCF-7) cells revealed varying levels of cell viability at different extract concentrations, suggesting potential anticancer properties. Importantly, these ethyl acetate extracts did not display toxicity to L929 cells across the concentration range tested. Subsequently, we conducted in-silico molecular docking experiments utilizing Discovery Studio 4.0 against the c-Met kinase protein (hepatocyte growth factor; PDB ID: 1N0W). Among the various compounds assessed, 3,4-Dihydroxy-1,6-bis-(3-methoxy-phenyl)-hexa-2,4-diene-1,6-dione exhibited a notable binding energy of -9.1 kcal/mol, warranting further investigation into its potential anticancer properties, clinical applications, and broader pharmacological characteristics.
植物种子提取物的药理和预防特性已在科学界获得广泛认可。本研究系统评估了各种溶剂型植物种子提取物中植物化学物质的体外抗菌、抗氧化和抗乳腺癌特性。我们还进行了分子对接模拟，以确定它们与特定靶蛋白的相互作用。此外，使用气相色谱-质谱联用仪（GCMS）鉴定了九种不同的化学成分。值得注意的是，乙酸乙酯提取物对革兰氏阳性和革兰氏阴性细菌菌株均表现出强大的抑制作用。此外，发现其对2,2-二苯基-1-苦基肼（DPPH）的清除能力值得关注，IC值为550.82±1.7µg/mL，清除效率为64.1±2.8%。此外，乙酸乙酯提取物表现出显著的过氧化氢（HO）清除活性，在浓度为761.17±1.8µg/mL时，最大清除率为44.1±1.70%（IC）。有趣的是，针对人乳腺癌（MCF-7）细胞的体外细胞毒性试验显示，在不同提取物浓度下细胞活力水平不同，表明其具有潜在的抗癌特性。重要的是，这些乙酸乙酯提取物在测试的浓度范围内对L929细胞没有毒性。随后，我们利用Discovery Studio 4.0对c-Met激酶蛋白（肝细胞生长因子；PDB ID：1N0W）进行了计算机分子对接实验。在所评估的各种化合物中，3,4-二羟基-1,6-双-（3-甲氧基苯基）-己-2,4-二烯-1,6-二酮表现出显著的结合能-9.1 kcal/mol，值得进一步研究其潜在的抗癌特性、临床应用和更广泛的药理特性。
