Energetically significant anti-parallel π-stacking and unconventional anion-π interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies

Sharma, P.; Sarma, Pinku; Frontera, Antonio; Hussain, Sahid; Verma, Akalesh Kumar; Bhattacharyya, Manjit K.

doi:10.1016/j.ica.2020.120082

Cited by 17 publications

(6 citation statements)

References 158 publications

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“…Crystal structure analysis reveals the presence of a two-fold axis of symmetry in the crystal structure, with the axis passing through the Co(II) center. The Co-N and Co-O bond lengths are well consistent with the previously reported Co(II) compounds [74][75][76][77]. The molecular structure of compound 2 is depicted in Figure 4.…”

Section: C2-h2supporting

confidence: 88%

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

Banik,

Baishya,

Gomila

et al. 2024

Inorganics

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Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO3 = 4-chlorobenzenesulfonate), were synthesized and characterized using single crystal XRD, TGA, spectroscopic (IR, electronic) and elemental analyses. Both the compounds crystallize as multi-component compounds of Ni(II) and Co(II), with uncoordinated ADS and 4-ClbzSO3 moieties in the crystal lattice, respectively. Crystal structure analyses revealed the presence of antiparallel nitrile···nitrile and π-stacked assemblies involving alternate coordinated 3-CNpy and uncoordinated ADS and 4-ClbzSO3 moieties. Moreover, unconventional charge reverse Cl∙∙∙N halogen bonding contacts observed in compound 2 provide additional reinforcement to the crystal structure. Theoretical calculations confirm that the H-bonding interactions, along with anion–π(arene) and anion–π(CN) in 1 and π–π, antiparallel CN···CN and charge reverse Cl···N halogen bonds in 2, play crucial roles in the solid state stability of the compounds. In vitro anticancer activities observed through the trypan blue cell cytotoxicity assay reveal that the compounds induce significant concentration dependent cytotoxicity in Dalton’s lymphoma (DL) cancer cells, with nominal effects in normal healthy cells. Molecular docking studies reveal that the compounds can effectively bind with the active sites of anti-apoptotic proteins, which are actively involved in cancer progression.

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Section: C2-h2supporting

confidence: 88%

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

Banik,

Baishya,

Gomila

et al. 2024

Inorganics

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“…In this type of complexes, where the aromatic rings are coordinated to metal centres, the p-system is very polarized, generating large dipole$$$dipole attractions, as previously demonstrated. [50][51][52][53][54] In compound 2, a similar combination of interactions is observed. That is, the QTAIM/IGM plot analysis shows the existence of a p-stacking interaction characterized by two bond CPs and bond paths connecting two atoms of each aromatic ring and two CH/O interactions characterized by the corresponding bond CPs and bond paths.…”

Section: Dft Analysis Of Noncovalent Interactionsmentioning

confidence: 79%

Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration

et al. 2021

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“…Finally, it should be mentioned that there are many examples in the literature where extended π-systems exhibit large dimerization energies due to π-stacking interactions, much stronger than H-bonds. 69…”

Section: Resultsmentioning

confidence: 99%

Centroid⋯centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines

et al. 2022

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Energetically significant anti-parallel π-stacking and unconventional anion-π interactions in phenanthroline based Ni(II) and Cu(II) coordination compounds: Antiproliferative evaluation and theoretical studies

Cited by 17 publications

References 158 publications

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies

Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration

Centroid⋯centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines

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