Abstract Synthesis of benzoxazole derivatives via Mannich reaction yielded 6-methyl-2-{[(substituted-phenyl)amino]methyl}[1,2,4]triazolo[3,4-b][1,3]benzoxazole-3(2H)-thiones 3(a-f) and 3-[2-(5-methyl-1,3-benzoxazol-2-yl)hydrazinylidene]-1-[(substituted-phenylamino)methyl]-1,3-dihydro-2H-indol-2-ones 5(a-f). The characterization of target moieties was defended by their spectral data analysis. The newly synthesized compounds were assessed by invitro cytotoxic activity by colorimetric MTT assay against MCF-7 human breast cancer cell line at varied concentrations. The results of MTT assay were shown as % cell viability and IC50(μM) values. The invitro antibacterial, antifungal evaluation with different bacterial and fungal strains exhibited significant MIC values attributed to gratifying antimicrobial potency of target molecules. Molecular docking simulation of the target molecules was carried on NQO 2 (PDB ID: 4ZVM ) protein receptor to complement the invitro cytotoxicity. The ADMET properties description has promoted the drug like properties of the target molecules.

中文翻译：

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通过曼尼希反应合成苯并恶唑衍生物和体外细胞毒性、抗菌和对接研究

摘要 通过曼尼希反应合成苯并恶唑衍生物，得到 6-甲基-2-{[(取代-苯基)氨基]甲基}[1,2,4]三唑并[3,4-b][1,3]苯并恶唑-3( 2H)-硫酮 3(af) 和 3-[2-(5-methyl-1,3-benzoxazol-2-yl)hydrazinylidene]-1-[(取代-苯基氨基)methyl]-1,3-dihydro-2H -indol-2-ones 5(af)。其光谱数据分析为目标部分的表征辩护。新合成的化合物通过体外细胞毒活性通过比色 MTT 测定对不同浓度的 MCF-7 人乳腺癌细胞系进行评估。MTT测定的结果显示为％细胞活力和IC50(μM)值。不同细菌和真菌菌株的体外抗菌、抗真菌评估表现出显着的 MIC 值，这归因于目标分子的抗微生物效力令人满意。目标分子的分子对接模拟在 NQO 2 (PDB ID: 4ZVM ) 蛋白受体上进行，以补充体外细胞毒性。ADMET 特性描述促进了目标分子的类似药物的特性。