Cis-Palladium(II) complex incorporating 3-(2-pyridyl)-5-methyl-1,2,4-triazole: structure and cytotoxic activity

Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroschuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Grebinyk, Anna; Grynyuk, І. І.; Prylutska, Svitlana; Matyshevska, Olga; Slobodyanik, M.S.; Frohme, Marcus; Lampeka, R. D.

doi:10.1007/s11696-021-01699-4

Cited by 7 publications

(2 citation statements)

References 43 publications

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“…A search for the structures of coordination compounds based on 3-methyl-5-(pyrid-2-yl)-2H-1,2,4-triazole revealed ten hits. Three of these structures represent our previous studies: CAMSUI (Zakharchenko, Khomenko, Doroschuk, Raspertova, Shova et al, 2021), IXIBID and IXIBOJ (Petrenko et al, 2021). The other structures correspond to mixed-ligand complexes with various metals, among them: NIYRAQ (Cao et al, 2014), QURBIQ (Guetlich & Schollmeyer, 2015), REWSOC (Cheng et al, 2007), SARQIO (Muller et al, 2013) and VESZOI (Buchanan et al, 1990).…”

Section: Supramolecular Featuresmentioning

confidence: 72%

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

et al. 2022

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In the title compound [Fe2(C2O4)(C8H8N4)4](CH3C6H4SO3)2·2.75H2O, the two FeII ions have a highly distorted octahedral FeN4O2 environment formed by two bidentate triazole-based chelating ligands and a bis-bidentate oxalate bridging anion that connects the metal ions. Stabilization within the crystal structure is provided via a system of O—H...O and N—H...O hydrogen bonding, which determines the formation of a two-dimensional architecture along the a-axis direction.

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Section: Supramolecular Featuresmentioning

confidence: 72%

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

et al. 2022

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“…The electronic properties of nitrogen or sulfur heteroatoms are a significant factor in their selection. One of these compounds, 1,2,4-triazole, has demonstrated a wide range of biological activities such as antibacterial, [5][6][7] antimicrobial, [8][9][10] anti-HIV, [11][12][13] antiviral, [14,15] antitumor, [14][15][16] and antitubercular. [17][18][19][20] Researchers have found that modifying the structure of the triazole moiety with specific molecular groups can enhance its biological potency.…”

Section: Introductionmentioning

confidence: 99%

Novel Antitubercular Agents: Design, Synthesis, Molecular Dynamic and Biological Studies of Pyrazole – 1,2,4‐Triazole Conjugates

Ajin,

Arun Kumar,

Singh

et al. 2023

Chemistry & Biodiversity

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Mycobacterium tuberculosis (Mtb) has numerous cell wall and non‐cell wall mediated receptors for drug action, of which cell wall mediated targets were found to be more promising because of their pivotal role in bacterial protection and survival. Herein, we reported the design and synthesis of a series of pyrazole‐linked triazoles based on the reported structural features of promising drug candidates that target DprE1 receptors through a Structure‐based drug design (SBDD) approach (6a–6j and 7a–7j). The synthesized compounds were evaluated for their in‐vitro antitubercular activity against virulent strains of Mtb H37Rv. In‐silico studies revealed that most compounds exhibit binding interactions with crucial amino acids like Lys418, Tyr314, Tyr60, and Asp386 at DprE1. Furthermore, the protein‐ligand (7j) shows appreciable stability compared to innate protein in a 100 ns molecular dynamic simulation study. In‐vitro MAB assay revealed that 14 compounds exhibit significant antitubercular activity with minimum inhibitory concentration (MIC) of the 3.15–4.87 μM of the 20 compounds tested. An in‐vitro cytotoxicity study on normal cell lines (MCF10) revealed safe compounds (IC50 values:341.85 to 726.08 μM). Hence, the present study opens the development of new pyrazole‐linked triazoles as probable DprE1 inhibitors.

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Structure and Peculiarities of ¹H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles

Ivanova,

Khomenko,

Doroshchuk

et al. 2024

ChemistrySelect

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A series of chelating N N proligands, 3‐(2‐pyridyl)‐5‐alkyl‐1,2,4‐triazoles (HLAlk), where alkyl=methyl, ethyl, isopropyl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl was used as building blocks for designing of coordination compounds. Their reaction with an equimolar amount of [PdCl2(CH3CN)2] led to formation of series of six novel palladium complexes [Pd(HLAlk)Cl2], in which ligands are coordinated in the acid form. New proligands and Pd(II) complexes were characterized by IR, 1H and 13C NMR spectroscopy and elemental analysis. The Pd(II) complexes showed an unusual downfield shift in 1H NMR of the aliphatic proton that is the closest to triazole ring, which suggests the C−H…Cl hydrogen bonding, supported by X‐ray data for Pd(HLc−Pr)Cl2 and Pd(HLc−Bu)Cl2.

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Cis-Palladium(II) complex incorporating 3-(2-pyridyl)-5-methyl-1,2,4-triazole: structure and cytotoxic activity

Cited by 7 publications

References 43 publications

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

Novel Antitubercular Agents: Design, Synthesis, Molecular Dynamic and Biological Studies of Pyrazole – 1,2,4‐Triazole Conjugates

Structure and Peculiarities of ¹H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles

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Cis-Palladium(II) complex incorporating 3-(2-pyridyl)-5-methyl-1,2,4-triazole: structure and cytotoxic activity

Cited by 7 publications

References 43 publications

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1H-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate

Novel Antitubercular Agents: Design, Synthesis, Molecular Dynamic and Biological Studies of Pyrazole – 1,2,4‐Triazole Conjugates

Structure and Peculiarities of 1H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles

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Structure and Peculiarities of ¹H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles