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Kolhe, Sujata; Patil, Poonam

doi:10.2139/ssrn.3867378

Cited by 1 publication

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“…There are many reports in the literature about fluorescent sensors based on Schiff base for the analysis of various metal ions, such as Hg 2+ , Al 3+ , Cu 2+ , and Zn 2+ . [ 21,22 ]…”

Section: Introductionmentioning

confidence: 99%

“…There are many reports in the literature about fluorescent sensors based on Schiff base for the analysis of various metal ions, such as Hg 2+ , Al 3+ , Cu 2+ , and Zn 2+ . [21,22] Heat shock protein 90 (Hsp90) is an abundant molecular chaperone in eukaryotes and plays an essential role in the assembling, folding, trafficking, and degradation process of proteins. [23][24][25] Hsp90 protomer consists of four domains (Figure 1).…”

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confidence: 99%

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Co(II), Ni(II), and Zn(II) complexes of 5‐methyl‐1,3,4‐oxadiazol‐2‐amine Schiff base as potential heat shock protein 90 inhibitors: Spectroscopic, biological activity, density functional theory, and molecular docking studies

Al‐Janabi

Al‐Bayati

Abed³

et al. 2022

Applied Organom Chemis

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Heat shock protein 90 (Hsp90) is a promising target in tumor biology as required for oncogenic protein kinases. The Hsp90‐alpha N‐domain delineates an ATP binding pocket; therefore, the ligands competitors to ATP are potential Hsp90 inhibitors. This study demonstrates the inhibition of the N‐terminal ATPase of Hsp90 with 4‐methyl‐2‐(((5‐methyl‐1,3,4‐oxadiazol‐2‐yl)amino)methyl)phenol (MoxOH) and their Co(II), Ni(II), and Zn(II) complexes. MoxOH and its complexes were successfully synthesized and characterized using Fourier transform infrared (FT‐IR), UV–visible, mass spectroscopy, 1H and 13C nuclear magnetic resonance (NMR), and magnetic and conductivity measurements. By employing density functional theory B3LYP/LANL2DZ+6‐31+G(d,p) as a basis set, we have examined their spectral and structural properties, such as the energy band gap, dipole moment, chemical potential, Mulliken charge distributions, and highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) interactions. The activity of the compounds against Hsp90 has been investigated using molecular docking. They showed excellent binding percentages of up to 100% to the ATP binding pocket and low binding energies ranging from −7.2 to −9.5 kcal mol−1. The antibacterial properties of these compounds made them effective against Gram‐positive and Gram‐negative bacteria. These compounds were highly effective at inhibiting the growth of Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. These complexes may offer new hope for cancer therapy and take the metallodrugs field to new heights.

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“…There are many reports in the literature about fluorescent sensors based on Schiff base for the analysis of various metal ions, such as Hg 2+ , Al 3+ , Cu 2+ , and Zn 2+ . [ 21,22 ]…”

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%