DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6′-Diamino-1,1′,3,3′-tetramethyl-5,5′-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione]

DFT, ADMET and Molecular Docking Investigations for the Antimicrobial Activity of 6,6′-Diamino-1,1′,3,3′-tetramethyl-5,5′-(4-chlorobenzylidene)bis[pyrimidine-2,4(1H,3H)-dione]

Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are investigated. Computational techniques such as the dens...

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Bibliographic Details
Main Authors: Nesreen T. El-Shamy, Ahmed M. Alkaoud, Rageh K. Hussein, Moez A. Ibrahim, Abdulrahman G. Alhamzani, Mortaga M. Abou-Krisha
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
pyrimidine molecule
DFT
drug likeness
ADMET
molecular docking
antimicrobial activity
Online Access:https://www.mdpi.com/1420-3049/27/3/620

Internet

https://www.mdpi.com/1420-3049/27/3/620

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