Kiranmayee Modumudi, Rajesh Nambi, Vidya Vani M, Khadri Habeeb, Mohammed Arifullah, Chinni Suresh V, Ramachawolran Gobinath, Riazunnisa Khateef, Moussa Ashaimaa Y
Department Biotechnology and Bioinformatics, Yogi Vemana University, Kadapa, India.
Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraidah, Saudi Arabia.
Front Chem. 2023 Sep 5;11:1218588. doi: 10.3389/fchem.2023.1218588. eCollection 2023.
Nanobiotechnology is a popular branch of science that is gaining interest among scientists and researchers as it allows for the green manufacturing of nanoparticles by employing plants as reducing agents. This method is safe, cheap, reproducible, and eco-friendly. In this study, the therapeutic property of fruit was mixed with the antibacterial activity of metallic copper to produce copper nanoparticles. The synthesis of copper nanoparticles was indicated by a color change from brown to blue. Physical characterization of copper nanoparticles (PN-CuNPs) was performed using UV-vis spectroscopy, FT-IR, SEM, EDX, XRD, and Zeta analyzer. PN-CuNPs exhibited potential antioxidant, antibacterial, and cytotoxic activities. PN-CuNPs have shown concentration-dependent, enhanced free radical scavenging activity, reaching maximum values of 92%, 90%, and 86% with DPPH, HO, and PMA tests, respectively. The antibacterial zone of inhibition of PN-CuNPs was the highest against (23 mm) and the lowest against (10 mm). PN-CuNPs showed 80% cytotoxicity against MCF-7 breast cancer cell lines. Furthermore, more than 50 components of extract were selected and subjected to molecular docking using the C-Docker protocol in the binding pockets of glutathione reductase, DNA gyrase topoisomerase II, and epidermal growth factor receptor (EGFR) tyrosine to discover their druggability. Pipercyclobutanamide A (26), pipernigramide F (32), and pipernigramide G (33) scored the highest Gibbs free energy at 50.489, 51.9306, and 58.615 kcal/mol, respectively. The ADMET/TOPKAT analysis confirmed the favorable pharmacokinetics, pharmacodynamics, and toxicity profiles of the three promising compounds. The present analysis helps us to understand the possible mechanisms behind the antioxidant, antibacterial, and cytotoxic activities of CuNPs and recommends them as implicit inhibitors of selected proteins.
纳米生物技术是科学领域中一个热门的分支，由于它能够利用植物作为还原剂来绿色制造纳米颗粒，因而正引起科学家和研究人员的兴趣。这种方法安全、廉价、可重复且环保。在本研究中，将水果的治疗特性与金属铜的抗菌活性相结合以制备铜纳米颗粒。铜纳米颗粒的合成通过颜色从棕色变为蓝色得以表明。使用紫外可见光谱、傅里叶变换红外光谱、扫描电子显微镜、能谱分析、X射线衍射和zeta分析仪对铜纳米颗粒（PN-CuNPs）进行了物理表征。PN-CuNPs表现出潜在的抗氧化、抗菌和细胞毒性活性。PN-CuNPs呈现出浓度依赖性的增强自由基清除活性，在二苯基苦味酰基自由基（DPPH）、羟基自由基（HO）和过氧亚硝酸盐（PMA）测试中分别达到最大值92%、90%和86%。PN-CuNPs的抑菌圈对[具体细菌1]最高（23毫米），对[具体细菌2]最低（10毫米）。PN-CuNPs对MCF-7乳腺癌细胞系表现出80%的细胞毒性。此外，选择了[植物名称]提取物的五十多种成分，并使用C-Docker协议在谷胱甘肽还原酶、DNA回旋酶拓扑异构酶II和表皮生长因子受体（EGFR）酪氨酸的结合口袋中进行分子对接，以发现它们的成药可能性。胡椒环丁酰胺A（26）、胡椒酰胺F（32）和胡椒酰胺G（33）的吉布斯自由能得分最高，分别为50.489、51.9306和58.615千卡/摩尔。ADMET/TOPKAT分析证实了这三种有前景的化合物具有良好的药代动力学、药效学和毒性特征。目前的分析有助于我们理解铜纳米颗粒的抗氧化、抗菌和细胞毒性活性背后的可能机制，并推荐它们作为所选蛋白质的潜在抑制剂。
