Category: pyridine-derivatives《Energetically significant nitrile···nitrile and unconventional C-H···π(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies》 was published in 2021. The authors were Das, Amal;Sharma, Pranay;Frontera, Antonio;Verma, Akalesh K.;Barcelo-Oliver, Miquel;Hussain, Sahid;Bhattacharyya, Manjit K., and the article was included in《Journal of Molecular Structure》. The author mentioned the following in the article:
Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)2]•H2O (1) and [Zn(3-CNpy)2Cl2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) were synthesized and characterized using elemental anal., TGA, electronic, IR spectroscopy and single crystal x-ray diffraction techniques. Crystal structure analyses reveal supramol. assemblies involving interesting dimers with unconventional contacts in the compounds DFT (D. Functional Theory) calculations on the supramol. dimers in the crystal structure of 1 reveal that the sum of contributions of anion-π, π-π and other long range interactions due to the approximation of the bulk monomers is energetically significant. Mol. Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Mols. (QTAIM) analyses on the interesting supramol. dimers of the crystal structures of 2 reveal unconventional anion···π contacts involving coordinated chlorido ligands and C-H···π(nitrile) interactions involving the π-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Mols. anal. also confirms the existence of energetically significant unconventional anti-parallel nitrile···nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Da’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (∼12%). Compound 1 has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biol. targets with similar signaling pathways. Structure activity relation (SAR) analyses of 1 and 2 based on pharmacophore modeling reveal that the mol. features associated with the structures of the compounds play important role in the biol. activities. The experimental procedure involved many compounds, such as 3-Cyanopyridine (cas: 100-54-9) .
3-Cyanopyridine(cas: 100-54-9) is an antimicrobial agent that can be used in the treatment of infectious diseases.Category: pyridine-derivatives It has been shown to be effective against a variety of bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and Streptococcus pneumoniae.