Hydroxamic acids [R(CO)N(OH)R’] are flexible compounds for organic and inorganic analyses due to their frailer structures compared to the carboxylic acid. The syntheses and characterization of benzohydroxamic acid (BHA), its CH₃–, OCH₃–, Cl– para-substituted derivatives and their Cr(III) complexes are reported herein. The metal complexes were synthesized by reacting the hydroxamic acids with chromium(III) chloride hexahydrate in 2:1 molar ratio. The compounds were characterized via melting point, elemental analysis, FTIR, ¹H and ¹³C NMR, TGA, mass spectrometry, molar conductance and UV–Visible. Data analysis suggests that each complex has the Cr(III) center coordinated to the carbonyl and hydroxy oxygen atoms of the hydroxamic acids in bidentate O,O manner and two water molecules to form octahedral geometry. Non-electrolytic behavior of the complexes was shown through their low molar conductivity. Cytotoxicity study against HCT116 and alpha-glucosidase inhibition test revealed that all complexes have higher activity than their parent ligands. Molecular docking study shows that the docking of active complexes is thermodynamically favorable and the inhibition efficiency may depend on the types and the numbers of molecular interactions established in the corresponding stable conformers.

中文翻译：

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异羟肟酸铬 (III) 复合物的细胞毒性、α-葡萄糖苷酶抑制和分子对接研究。

异羟肟酸 [R(CO)N(OH)R'] 是一种灵活的化合物，可用于有机和无机分析，因为与羧酸相比，它们的结构更脆弱。本文报道了苯异羟肟酸 (BHA)、其 CH ₃ -、OCH ₃ -、Cl-对位取代衍生物及其 Cr(III) 配合物的合成和表征。通过将异羟肟酸与六水合氯化铬 (III) 以 2:1 的摩尔比反应来合成金属配合物。通过熔点、元素分析、FTIR、¹ H 和¹³C NMR、TGA、质谱、摩尔电导和紫外-可见。数据分析表明，每个配合物的 Cr(III) 中心以双齿O,O方式与异羟肟酸的羰基和羟基氧原子和两个水分子配位，形成八面体几何结构。配合物的非电解行为通过其低摩尔电导率显示出来。针对 HCT116 的细胞毒性研究和 α-葡萄糖苷酶抑制试验表明，所有复合物都比其母体配体具有更高的活性。分子对接研究表明，活性复合物的对接在热力学上是有利的，抑制效率可能取决于相应稳定构象异构体中建立的分子相互作用的类型和数量。