Mn(II), Co(II), and Cu(II) complexes of the iodo derivative of “Heena”: synthesis, characterization, X-crystal structures, and anticancer activity

IF 3.2 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-07-15 DOI:10.1016/j.ica.2025.122837

Sunita Salunke-Gawali , Manisha Gaikwad , Vivek Mokashi , Dipali N. Lande , Shridhar P. Gejji , Harsha Ashtekar , Ray J. Butcher

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Abstract

2-Hydroxy-1,4-naphthoquinone (HLW) is a principal constituent of the ‘Heena’ plant leaves. Several C(3) derivatives of HLW possess enhanced pharmacological efficacy. This study presents the synthesis and characterization of iodine-based naphthoquinone, 2-hydroxy-3-iodo-1,4-naphthoquinone (HILW), and its manganese(II) (ILW-Mn), cobalt(II) (ILW-Co), and copper(II) (ILW-Cu) complexes. These complexes were characterized through FT-IR, UV–visible spectroscopy, single-crystal X-ray diffraction (SC-XRD), electron paramagnetic resonance (EPR), and electrochemical experiments. The general molecular formula of the complexes is [M(ILW)₂(H₂O)₂]. SC-XRD analysis further showed that ILW-Mn and ILW-Cu complexes are crystallized in the monoclinic space group P2₁/n and triclinic P-1, respectively. SC-XRD studies point to the presence of O-H⋯O, C-H⋯O, and C-H⋯I interactions in crystal environments. The molecular and crystal structures of HILW and its complexes were studied using Hirshfeld surface analysis and fingerprint plots, which unveil intermolecular interactions. Their cytotoxic potentials against the human brain tumor cell line LN18 were examined using MTT and SRB assays. The biotoxicity of ILW-Mn and ILW-Cu complexes demonstrates substantially larger therapeutic potential than ILW-Co or HILW ligands.

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“Heena”的碘衍生物的Mn(II), Co（II）和Cu（II）配合物：合成，表征，x晶体结构和抗癌活性

2-羟基-1,4-萘醌（HLW）是Heena植物叶片的主要成分。几种hw的C(3)衍生物具有增强的药理功效。本文研究了碘基萘醌、2-羟基-3-碘-1,4-萘醌（HILW）及其锰（II）（ILW-Mn）、钴（II）（ILW-Co）和铜（II）（ILW-Cu）配合物的合成和表征。通过FT-IR、uv -可见光谱、单晶x射线衍射（SC-XRD）、电子顺磁共振（EPR）和电化学实验对这些配合物进行了表征。配合物的一般分子式为[M(ILW)2(H2O)2]。SC-XRD分析进一步表明，ILW-Mn和ILW-Cu配合物分别在单斜空间群P21/n和三斜空间群P-1中结晶。SC-XRD研究指出，在晶体环境中存在O- h⋯O， C-H⋯O和C-H⋯I相互作用。利用Hirshfeld表面分析和指纹图谱研究了HILW及其配合物的分子和晶体结构，揭示了分子间的相互作用。采用MTT和SRB法检测其对人脑肿瘤细胞株LN18的细胞毒性。与ILW-Co或HILW配体相比，ILW-Mn和ILW-Cu复合物的生物毒性显示出更大的治疗潜力。

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.