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Now showing items 11-15 of 15
In Silico, SwissADME, and DFT Studies of Newly Synthesized Oxindole Derivatives Followed by Antioxidant Studies
(Hindawi, 2023)
The compounds were synthesized by refluxing 6-chlorooxindole with 2,3-dichlorobenzaldehyde and 2,6-dichlorobenzaldehyde in the presence of piperidine as a catalyst and characterized by spectroscopic analysis using 1H NMR, ...
Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, antioxidant activity, molecular docking, DFT calculations
(Elsevier, 2023)
A novel nitro containing thiophene derivatives containing have been synthesized. In pharmaceutical chemistry, thiophene derivatives show a biological effect. Due to the promising antimicrobial, analgesic and anti-inflammatory, ...
Molecular modeling study on the water-electrode surface interaction in hydrovoltaic energy
(Nature, 2023)
The global energy problem caused by the decrease in fossil fuel sources, which have negative effects on human health and the environment, has made it necessary to research alternative energy sources. Renewable energy sources ...
Pyrimidine and cumene derivatives functionalized by hydroxy and methoxy: Computational insights in drug-likeness, ADM, and toxicity studies
(Elsevier, 2023)
The –OH and –OCH3 functionalized isopropyl cumene and isopropyl pyrimidine derivatives were designed and,
explored in terms of the ADM, and possible toxic effects in view of the medicinal and environmental. For this
goal, ...
Computational Insights in Drug-likeness and ADMT Properties of -dienes Resemble of Geranial
(Dergipark, 2023)
This research aims to analyze the drug development potential of geranial, a naturally occurring compound
known for its medicinal properties, through in-depth ADMT (Absorption, Distribution, Metabolism, and
Toxicity) ...