Heteroleptic Triple-Stranded Metallosupramolecules with Hydrophobic Inner Voids

Nguyen, Tien V.; Tran, Ngoc Minh; Park, In‐Hyeok; Yoo, Hyojong

doi:10.1021/acsomega.2c00447

Cited by 3 publications

(1 citation statement)

References 59 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The solid-state structure of 1 was determined by SCXRD analysis and refined in the space group Fd3 (Table 1) (Albrecht, 2000;Nguyen et al, 2022). Whether a helicate or mesocate is obtained depends heavily on the ligand rigidity (Albrecht, 2000).…”

Section: Resultsmentioning

confidence: 99%

Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks

Nguyen¹,

Nguyễn²,

Tran³

et al. 2023

Int Union Crystallogr J

Self Cite

View full text Add to dashboard Cite

Three novel hierarchical Ni-based metallosupramolecular cages were constructed from nickel ions, pyridine dicarboxylates and isophthalate derivative ligands (the substituents on C5 of isophthalate are methyl, tert-butyl and bromo groups). In every cage, two multinuclear nickel clusters, assembled from four nickel atoms and three pyridine dicarboxylate ligands, are interlinked by three isophthalate-derivative ligands to form a nickel-based triple-stranded helicate (TSH), which then becomes the supramolecular building block for the fabrication of a metallocage. Six homochiral TSH supramolecular building blocks, either left (M)-handed or right (P)-handed, are connected by four linking nickel atoms to generate M 6 and P 6 discrete racemic cage molecules (M 6 – cage with six M-TSHs; P 6 – cage with six P-TSHs). The crystal packing of the racemic cages was characterized by single-crystal X-ray diffraction. An additional cobalt-based molecular cage with 5-methylisophthalate bridging ligands was synthesized for host–guest interaction studies. The methyl groups in Co- and Ni-TSH can act as guest units to be accommodated in the cone-shaped metal clusters (host) of an adjacent cage.

show abstract

Section: Resultsmentioning

confidence: 99%

Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks

Nguyen¹,

Nguyễn²,

Tran³

et al. 2023

Int Union Crystallogr J

Self Cite

View full text Add to dashboard Cite

show abstract

DFT Analyses of arsylsemicarbazone group as functional compound for application as excellent fluorescent probes and medicament: study on virtual screening through molecular docking

Bose,

Sil,

Chakraborty

et al. 2024

Chem. Pap.

View full text Add to dashboard Cite

The present invention reports two novel functional compounds, 2-hydroxy-3-naphthaldehyde thiosemicarbazone (2H3NTS) and 2-hydroxy-3-naphthaldehyde semi carbazone (2H3NS) as an excellent uorescent probe which possess anticancer features and are not yet synthesized by any research group.The DFT study reveals signi cantly higher stokes shift (315 nm) for 2H3NS indicating swift relaxation from initial to the emissive state and reduces self-quenching from self-molecular absorption which favours its practical application. Consequently, successive in-vitro activity of 2H3NTS and /2H3NS is studied using molecular docking towards the inhibition capacity of target kinase protein like CDK, primarily responsible for cell growth. As expected, 2H3NS is capable of binding both competitive ATP binding SITE I and non-competitive SITE II which lies below the T-loop, thereby inhibiting the cell growth and differentiation. However, 2H3NTS with polarizable sulphur is incapable of binding at SITE I with selective inhibition posing the ATP site to be well conserved.

show abstract

DFT Analyses of Arsylsemicarbazone Group as Functional compound for application as excellent fluorescent probes and medicament: Study on virtual Screening through Molecular Docking

Bose,

Sil,

Chakraborty

et al. 2024

Preprint

View full text Add to dashboard Cite

The present invention reports two novel functional compounds, 2-hydroxy-3-naphthaldehyde thiosemicarbazone (2H3NTS) and 2-hydroxy-3-naphthaldehyde semi carbazone (2H3NS) as an excellent fluorescent probe which possess anticancer features and are not yet synthesized by any research group. The DFT study reveals significantly higher stokes shift (315 nm) for 2H3NS indicating swift relaxation from initial to the emissive state and reduces self-quenching from self-molecular absorption which favours its practical application. Consequently, successive in-vitro activity of 2H3NTS and /2H3NS is studied using molecular docking towards the inhibition capacity of target kinase protein like CDK, primarily responsible for cell growth. As expected, 2H3NS is capable of binding both competitive ATP binding SITE I and non-competitive SITE II which lies below the T-loop, thereby inhibiting the cell growth and differentiation. However, 2H3NTS with polarizable sulphur is incapable of binding at SITE I with selective inhibition posing the ATP site to be well conserved.

show abstract

Heteroleptic Triple-Stranded Metallosupramolecules with Hydrophobic Inner Voids

Cited by 3 publications

References 59 publications

Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks

Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks

DFT Analyses of arsylsemicarbazone group as functional compound for application as excellent fluorescent probes and medicament: study on virtual screening through molecular docking

DFT Analyses of Arsylsemicarbazone Group as Functional compound for application as excellent fluorescent probes and medicament: Study on virtual Screening through Molecular Docking

Contact Info

Product

Resources

About