Structural and biological diversity of Ni(II), Mn(II), and Co(II) pincer complexes of 2-amino-4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-04-08 DOI:10.1016/j.ica.2025.122696

Sara M. Khattab , Ayman El-Faham , Assem Barakat , Roland C. Fischer , Morsy A.M. Abu-Youssef , Saied M. Soliman

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引用次数: 0

Abstract

Novel Ni(II), Mn(II) and Co(II) complexes of the tridentate pincer ligand, 2-amino-4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine (BPAT), were reported and their anticancer and antimicrobial potentials were examined. The coordination sphere is MN₃O₃ for [Ni(BPAT)(H₂O)₃](ClO₄)₂; (1) and [Co(BPAT)(H₂O)₃](ClO₄)₂; (4) while MN₆ for [Co(BPAT)₂](ClO₄)₂.EtOH; (3). Interestingly, the Mn(II) complex (2) has mixed [Mn(BPAT)₂](ClO₄)₂) and [Mn(BPAT)(H₂O)₃](ClO₄)₂ coordination spheres in ratio of 2:1. All complexes experienced distorted octahedral coordination geometry. Hirshfeld surface analysis indicated the leading role of O···H contacts in the crystal packing of 1 (42.1 %) and 4 (39.4 %), while the H···H interactions is the chief force behind the packing structures of 2 (46.6 %) and 3 (49.9 %). Natural charge analysis showed that the central divalent metal ions have lower charges range from 0.788 to 1.102 e than their expected formal values depending on the coordination environment. The anti-proliferative effects of complexes 1–4 were evaluated against MCF-7 and HeLa carcinoma cell lines. Complexes 1 and 2 exhibited notable activity, with IC₅₀ values of 75.42 ± 3.09 and 13.55 ± 0.42 μM for MCF-7, and 113.84 ± 4.92 and 13.24 ± 0.48 μM for Hela, respectively. Furthermore, complexes 1–4 have broad-spectrum antibacterial activity rather than being antifungals. 3 showed the best results against S. aureus, with an inhibition zone diameter (IZD) of 23 mm (MIC = 89.51 μM), while complex 2 was the most effective against P. vulgaris (IZD = 22 mm and MIC = 17.29 μM).

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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.