Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities

Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities

This work contemplates synthesizing M-SCN crystal compounds (M = Hg/Pb/Cu) in the presence of respective metal salts and exogenous ancillary SCN− ion by slowly evaporating the mixed solvent (CH3OH + ACN). The complexes were characterized by spectroscopy, SEM/EDX, and X-ray crystallography. The Hg-Co...

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Bibliographic Details
Main Authors: Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Amit Dubey, Aisha Tufail, Sourav Roy
Format: Article
Language:English
Published: Elsevier 2023-05-01
Series:Heliyon
Subjects:
Antibacterial
ADME/T
DFT
Molecular dynamics
Toxicity
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023033108

Internet

http://www.sciencedirect.com/science/article/pii/S2405844023033108

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