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具有抗菌、抗癌和自由基清除活性的Pt(II)-3-羟基-2-甲苯基-4-色原酮配合物的制备及相关计算研究

Preparation of a Pt(II)-3-Hydroxy-2-tolyl-4-chromen-4-one Complex Having Antimicrobial, Anticancerous, and Radical Scavenging Activities with Related Computational Studies.

作者信息

Mohmad Masrat, Agnihotri Nivedita, Kumar Vikas, Azam Mohammad, Kamal Raj, Kumar Ashish, Sharma Ujjawal, Javed Saleem, Muthu Sambantham, Min Kim

机构信息

Department of Chemistry, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala 133207, India.

Department of Biotechnology, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala 133207, India.

出版信息

ACS Omega. 2023 Aug 22;8(35):31648-31660. doi: 10.1021/acsomega.3c01316. eCollection 2023 Sep 5.

DOI:10.1021/acsomega.3c01316
PMID:37692249
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10483677/
Abstract

A novel benzopyran-based platinum (II)-3-hydroxy-2-tolyl-4-chromen-4-one (HToC) complex has been prepared and studied by UV-visible spectrophotometry. The study is based on the colored complexation between Pt(II) and HToC in the pH range of 8.92-9.21, resulting in the formation of a stable binary yellow complex exhibiting λ at 509-525 nm. The formed complex maintains linearity between 0.0 and 1.8 μg Pt(II) mL. The well-known qualitative analytical methods, including Job's method of continuous variations and the mole ratio approach, have both proven that the stoichiometry of the complex is 1:2 [Pt(II)/HToC]. Hence, the analytical results suggest that the formed platinum complex exhibits a square planar geometry. The values of various attributes corresponding to spectrophotometric studies and statistical calculations, such as the molar extinction coefficient (6.790 × 10 L mol cm), Sandell's sensitivity (0.0029 μg Pt(II) cm), standard deviation (± 0.0011), RSD (0.317%), limit of detection (0.0147 μg mL) and correlation coefficient (0.9999), show that the performed study satisfies all of the criteria for good sensitivity, versatility, and cost-effectiveness. In order to have an apprehension of the molecular geometry and other structural specifics of the complex, DFT studies have been carried out. The anticancer potential of the ligand and its platinum complex in the human breast cancer cell line (T-27D), as determined by the MTT assay, reveals that the complex has better antiproliferative potential than the ligand. The antimicrobial potential of the complex has been successfully tested against both Gram-positive and -negative bacteria. Antioxidant capacity results suggest the better radical scavenging capacity of the complex than that of the ligand.

摘要

一种基于苯并吡喃的新型铂(II)-3-羟基-2-甲苯基-4-色原酮(HToC)配合物已通过紫外可见分光光度法制备并进行了研究。该研究基于铂(II)与HToC在pH值为8.92 - 9.21范围内的显色络合反应,生成了一种稳定的二元黄色络合物,其在509 - 525 nm处有吸收峰。形成的络合物在0.0至1.8 μg Pt(II)/mL之间保持线性关系。包括乔布连续变化法和摩尔比法在内的著名定性分析方法均证明该络合物的化学计量比为1:2 [Pt(II)/HToC]。因此,分析结果表明形成的铂络合物呈现平面正方形几何结构。与分光光度研究和统计计算相关的各种属性值,如摩尔吸光系数(6.790×10 L mol⁻¹ cm⁻¹)、桑德尔灵敏度(0.0029 μg Pt(II)/cm²)、标准偏差(±0.0011)、相对标准偏差(0.317%)、检测限(0.0147 μg/mL)和相关系数(0.9999),表明所进行的研究满足良好灵敏度、通用性和成本效益的所有标准。为了了解该络合物的分子几何结构和其他结构细节,已进行了密度泛函理论(DFT)研究。通过MTT法测定,配体及其铂络合物在人乳腺癌细胞系(T - 27D)中的抗癌潜力表明,该络合物比配体具有更好的抗增殖潜力。该络合物对革兰氏阳性菌和阴性菌的抗菌潜力已成功测试。抗氧化能力结果表明该络合物比配体具有更好的自由基清除能力。

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