Growth and Characterisation of Copper Complex of 2, 4, 6-Trioxypyrimidine: A Novel Luminescent and Active Pharmaceutical Material in Metal Organic Framework

Vineeth, V.T.; Divya, R.; Bijini, B.R.; Deepa, M.; Kumar, B. S. M.; Babu, K. Rajendra

doi:10.1007/s10904-020-01739-8

Cited by 2 publications

(1 citation statement)

References 29 publications

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“…The last significant weight loss of around ca. 4.96% was observed at the temperature range of 493–800°C, which indicates the complete decomposition of framework compound into CO 2 and transformation to Cu 2 O corroborates well with a small exothermic peak 493.6°C from the DTA curve [ 60 , 61 ]. The thermal stability of the present Cu-MOF at solid-state is 396.8°C, which is higher than the recent literature report [ 62 ].…”

Section: Resultssupporting

confidence: 57%

Cu(II)(PhOMe-Salophen) Complex: Greener Pasture Biological Study, XRD/HAS Interactions, and MEP

Bandyopadhyay

Sengupta

Periyasamy

et al. 2022

Russ. J. Inorg. Chem.

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PhOMe-salophen ( 1b ) (salophen is N , N -bis(salycilidene)-1,2-phenylenediamine with two tert- butyl on each ring) and Cu(II) complex with PhOMe-salophen ( 1c ) have been synthesized and characterized using various tools, including X-ray diffraction for the Cu(II)-complex ( 1c , C 43 H 52 CuN 2 O 3 )). The copper complex has been obtained by Cu 2+ templated approach using 1b . PhOMe-salophen ( 1b ) has been obtained in reasonably high yield using a mixture of the Schiff-base, 1a, Pd(OAc) 2 , PPh 3 , Na 2 CO 3 , 4-methoxyphenylboronic acid in benzene. We focus in this research work on the electronic and structural properties of the Cu–Schiff base complex. The tetra-coordinate τ 4 index was calculated, indicating almost a perfect square planner in agreement with X-ray diffraction results. MEP reveals the maximum positive regions in 1/- associated with the azomethine and methoxyphenyl C–H bonds with an average value of 0.03 a.u. Hirshfeld surface analysis (HSA) was also studied to highlight the significant inter-atomic contacts and their percentage contribution through 2D Fingerprint plot. In a fair comparative molecular docking study, 1b and 1c were docked together with N -[{(5-methylisoxazol-3-yl)-carbonyl}alanyl}-l-valyl]- N 1-((1 R ,2 Z )-4-(benzyloxy)-4-oxo-1-[{(3 R )-2-oxopyrrolidin-3-yl}methyl]but-2-enyl)-l-leucinamide, N3 against main protease M pro , (PDB code 7BQY) using the same parameters and conditions. Interesting here to use the free energy, in silico, molecular docking approach, which aims to rank our molecules with respect to the well-known inhibitor, N3 . The binding scores of 1b , 1c , N3 are –7.8, –9.0, and –8.4 kcal/mol, respectively. These preliminary results propose that ligands deserve additional study in the context of possible remedial agents for COVID-19.

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Section: Resultssupporting

confidence: 57%