ChemInform Abstract: Synthesis and Applications of β‐Enamino Carbonyl Compounds

Govindh, Boddeti; Diwakar, Bhagavathula S.; Yellajyosula, L. N. Murthy

doi:10.1002/chin.201243261

Cited by 2 publications

(2 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…as a result of straightforward nucleophilic and electrophilic attack properties enamines were utilized in the synthesis of varied heterocycles and natural compounds. additionally to the short latent period, high yield, and ease of the method, several studies have targeted on synthesizing enamines in an exceedingly pure manner while not noxious catalysts [12]. After expulsion, the mixture was separated by column chromatography.…”

Section: Introductionmentioning

confidence: 99%

Molecular docking study and molecular dynamics simulation of ethyl 3,5‐diphenyl‐1H‐pyrrole‐2‐carboxylate and (Z)‐ethyl‐2‐(3‐oxo‐1,3‐diphenylprop‐1‐enylamino)acetate

Курбанова

Maharramov

Safarova

et al. 2022

J Biochem & Molecular Tox

View full text Add to dashboard Cite

Presented analysis work has performed in the wet-lab and computational environments.Firstly, the synthesis of latest heterocyclic compounds containing the alkyl organic compound fragment of acetate and glycine acid were obtained and then their crystal structure and biological activity was studied. (Z)-ethyl 2-(3-oxo-1,3-diphenylprop-1-enylamino) acetate (1) was initially retrieved on the supported reaction of dibenzene gas with glycine alkyl organic compound complex within the presence of Y(OTF) 3 catalyst in liquid medium. At identical time, ethyl-3,5-diphenyl-1H-pyrrole-2-carboxylate (2) was synthesized from the interaction of aminoalkane with tert-BuOK within the presence of tert-BuOH/DMFA solvent. The structure of latest compounds has been studied by 1 H, 13 C NMR. Additionally, the crystal structure of ethyl-3,5-diphenyl-1H-pyrrole-2-carboxylate (2) is conferred. Moreover, computational druglikeness and pharmacokinetics indicated the compounds good drug like molecules and friendly pharmacokinetics making the compound valuable candidates to be explored for additional structural modification to act as potential inhibitor of AChE and αglycosidase enzymes.

show abstract

Section: Introductionmentioning

confidence: 99%

Molecular docking study and molecular dynamics simulation of ethyl 3,5‐diphenyl‐1H‐pyrrole‐2‐carboxylate and (Z)‐ethyl‐2‐(3‐oxo‐1,3‐diphenylprop‐1‐enylamino)acetate

Курбанова

Maharramov

Safarova

et al. 2022

J Biochem & Molecular Tox

View full text Add to dashboard Cite

show abstract

“…Enaminones are versatile synthones because of their rapidity in both electrophilic and nucleophilic attacks. [ 22–24 ]…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization, antimicrobial activity, 3D‐QSAR, DFT, and molecular docking of some ciprofloxacin derivatives and their copper(II) complexes

Khalil

El‐Dissouky

Al-Wahaib

et al. 2020

Applied Organom Chemis

View full text Add to dashboard Cite

Six new derivatives of ciprofloxacin compounds and their copper(II) complexes were synthesized, characterized by spectroscopic methods (ultraviolet–visible [UV–vis], Fourier transform infrared [FTIR], nuclear magnetic resonance [NMR], mass spectrometry [MS], and electron paramagnetic resonance [EPR]), and tested for antibacterial activities against gram‐negative and gram‐positive bacteria. The data showed that ciprofloxacin derivatives act as bidentate ligands and the metal ions coordinate through the pyridone carbonyl and the carboxylate oxygen atoms. Tetragonally distorted octahedral ligand fields were assumed for all complexes based on their spectral studies. Copper(II) complexes of the synthesized ciprofloxacin derivatives revealed higher antibacterial activities against gram‐positive and gram‐negative bacterial species than the parent ciprofloxacin antibiotic. Furthermore, three‐dimensional quantitative structure–activity relationship (3D‐QSAR) models were evaluated by studying 30 antibiotic compounds of the quinolone class. Density function theory (DFT) calculations were applied to evaluate the optimized geometrical structures using the B3LYP method and 6‐311G(d,p) basis set. The 3D‐QSAR study revealed that there are eight optimum parameters that give the best predictive modulation with good reliability (R2 = 0.996, F = 12.004, sigma = 0.426). In silico molecular docking was also performed on the derivatives, and the results revealed the presence of two types of interactions between the Escherichia coli and the derivatives, H‐bonding and Van der Waals interactions, and an effective inhibition at the docked site.

show abstract

ChemInform Abstract: Synthesis and Applications of β‐Enamino Carbonyl Compounds

Abstract: Review: 61 refs.

Cited by 2 publications

References 0 publications

Molecular docking study and molecular dynamics simulation of ethyl 3,5‐diphenyl‐1H‐pyrrole‐2‐carboxylate and (Z)‐ethyl‐2‐(3‐oxo‐1,3‐diphenylprop‐1‐enylamino)acetate

Molecular docking study and molecular dynamics simulation of ethyl 3,5‐diphenyl‐1H‐pyrrole‐2‐carboxylate and (Z)‐ethyl‐2‐(3‐oxo‐1,3‐diphenylprop‐1‐enylamino)acetate

Synthesis, characterization, antimicrobial activity, 3D‐QSAR, DFT, and molecular docking of some ciprofloxacin derivatives and their copper(II) complexes

Contact Info

Product

Resources

About