Organotellurium(IV) complexes derived from thiophene based Schiff base 5-methyl-2-thiophene carboxaldehyde: Synthesis, spectral characterization, thermal analysis potent antimicrobial and antioxidant activities supported by molecular docking, DFT studies and ADMET prediction

Bhardwaj, Anisha; Kumar, Manish; Garg, Sapana; Kumar, Dev

doi:10.1016/j.inoche.2023.111332

Cited by 4 publications

(1 citation statement)

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“…These spectroscopic investigations play a crucial role in understanding the electronic structure and behavior of the compounds, providing valuable insights for further analysis and characterization. Moreover, the comparison of present study with recent and available literature, Bhardwaj et al [33] have reported on synthesis of synthesis of 5-methyl-2-thiophene carboxaldehyde p-aminophenol and their physicochemical and biological studies. The highest free radical scavenging activity against DPPH with IC50 value 63.78 ± 0.02 μM was observed when compared to ascorbic acid taken as standard.…”

Section: Electronic Spectramentioning

confidence: 53%

Molecular docking studies, structural analysis, biological studies, and synthesis of certain novel Schiff base from benzohydrazide derivate

Gosu,

et al. 2024

Phys. Scr.

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The research described involves the synthesis and characterization of a new benzohydrazide based Schiff base compound namely 4-methyl-N'-(2,4,5-trimethoxybenzylidene) benzohydrazide (HL). The compound was synthesized by condensing a primary amine and an aldehyde functional group. The characterization of the compound was carried out using various spectroscopic techniques, including elemental analysis, Ultraviolet spectroscopy, nuclear magnetic resonance spectroscopy, and infrared spectroscopy. These techniques helped confirm the excellent quality of the synthesized molecules. In addition to the characterization, the Schiff base compound was subjected to docking studies and biological studies. The antibacterial activity of the compound was tested against three strains of bacteria, namely E. faecalis, B. subtills, and E.coli. The results of these tests provided information on the compound effectiveness against these bacterial strains. Furthermore, docking studies was performed to assess the interaction between the synthesized compound and three target enzymes like GlcN-6-p synthase, DNA polymerase, and EGFR tyrosine kinase. Docking studies are computational simulations that provide insights into the binding interactions between Schiff base ligand and target proteins. In this case, the docking studies helped understand the potential mechanisms of action of the synthesized compound by calculating binding constants and the number of binding modes. The biological activity studies revealed interesting fragmentation patterns, which could be further investigated to understand the compound modes of action. Moreover, the docking studies evaluated the compound's potential as a drug candidate by assessing its binding interactions with the target enzymes. The present study suggests that the synthesized benzohydrazide based Schiff base compound exhibits potential antibacterial activity and shows promising binding interactions with the target protein/enzymes. This information is valuable for designing and developing more potent compounds in the future.

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Section: Electronic Spectramentioning

confidence: 53%