Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds

Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds

In this article, we have synthesized two contemporary ortho-vanillin-based Salen-type ligands (H2L1/H2L2) characterized by modern spectroscopic tools. EDX analysis supports the elemental composition (C, N, O, and Br). SEM examined the morphology of the synthesized compounds. The molecular geometry w...

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Bibliographic Details
Main Authors: Dhrubajyoti Majumdar, Amit Dubey, Aisha Tufail, Dipankar Sutradhar, Sourav Roy
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Heliyon
Subjects:
Salen ligand
DFT
Molecular docking
Molecular dynamics
ADME/T
Toxicity
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023032644

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http://www.sciencedirect.com/science/article/pii/S2405844023032644

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