Novel gold and platinum complexes [AuL₂]·Cl, 1 and [PtL₂]·2Cl, 2 with ligand, 2-methoxy-6-((2-(4-(trifluoromethyl)pyrimidin-2-yl)hydrazono)methyl)phenol (HL) have been synthesized and screened for their antimicrobial, antioxidant, DNA binding and anticancer (in vitro) activities. The single crystal of ligand HL was obtained by slow evaporation technique. The molecular structure of HL was confirmed from single crystal X-ray technique. Density functional theory calculations have been performed to gain insights into the electronic structure of these metal complexes. Antimicrobial result shows that, HL and complexes (1 and 2) have good antimicrobial agents against E. coli (bacteria) and C. albicans (fungi) than others bacterial and fungal strains. Antioxidant assay results suggest that, HL and complexes (1 and 2) possess good radical scavenging activity against diverse free radicals (DPPH, SOD, NO and H₂O₂). The intercalative interactions of HL and complexes (1 and 2) with CT-DNA were confirmed from spectroscopic titrations and viscometric measurements. Furthermore, the interactions of prepared compounds with DNA were confirmed by molecular docking analysis. In order to understand the nature of interactions between these metal complexes and BSA protein results clearly shows that complex 1 binds better than that of complex 2. The antitumor activities of prepared products were tested against single normal and different tumor cell lines by MTT assay. These results reveal that prepared complexes (1 and 2) have significant cytotoxic effect against tumor cell lines.

新型金和铂配合物[AuL ₂ ]·Cl，1和[PtL ₂ ]·2Cl，2与配体2-甲氧基-6-（（（2-（4-（三氟甲基）嘧啶-2-基）肼基）甲基）酚（HL）已被合成，并对其抗菌，抗氧化剂，DNA结合和抗癌（体外）活性进行了筛选。通过缓慢蒸发技术获得配体HL的单晶。HL的分子结构由单晶X射线技术证实。已经进行了密度泛函理论计算，以深入了解这些金属配合物的电子结构。抗菌结果表明，HL配合物（1和2）比其他细菌和真菌菌株对大肠杆菌（细菌）和白色念珠菌（真菌）具有良好的抗菌剂。抗氧化剂测定结果表明，HL和配合物（1和2）对多种自由基（DPPH，SOD，NO和H ₂ O ₂）具有良好的自由基清除活性。HL与配合物（1和2的相互作用）。光谱滴定法和粘度测量法证实了CT-DNA的确认性）。此外，通过分子对接分析证实了制备的化合物与DNA的相互作用。为了理解相互作用的这些金属配合物和BSA蛋白的结果清楚地显示之间的本性复杂1个结合比的复杂更好2。通过MTT测定法测试了制备产物对单一正常和不同肿瘤细胞系的抗肿瘤活性。这些结果表明，制备的复合物（1和2）对肿瘤细胞系具有显着的细胞毒性作用。