8-Aminoquinoline derived two Schiff base platforms: Synthesis, characterization, DFT insights, corrosion inhibitor, molecular docking, and pH-dependent antibacterial …
The current research divulges the synthesis of two new Schiff base (SB)(L NAPH/L O-VAN)
derived from 8-aminoquinoline (8-AMQ) in the presence of 2-hydroxy naphthaldehyde …
derived from 8-aminoquinoline (8-AMQ) in the presence of 2-hydroxy naphthaldehyde …
An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations
Studies of the geometrical, vibration, absorption and physicochemical properties of 2-deoxy-
D-glucose with and without metal clusters are reported using the DFT method. 2-Deoxy-D …
D-glucose with and without metal clusters are reported using the DFT method. 2-Deoxy-D …
Synthesis, structural, molecular docking, DFT, vibrational spectroscopy, HOMO-LUMO, MEP exploration, antibacterial and antifungal activity of new Fe (III), Co (II) and …
A Abdou - Journal of Molecular Structure, 2022 - Elsevier
Abstract Three new FeLphen, CoLphen and NiLphen hetero-ligand were synthesized,
characterized and theoretically investigated. The new complexes were based on …
characterized and theoretically investigated. The new complexes were based on …
Various biomimetics, including peptides as antifungals
E Efremenko, A Aslanli, N Stepanov, O Senko… - Biomimetics, 2023 - mdpi.com
Biomimetics, which are similar to natural compounds that play an important role in the
metabolism, manifestation of functional activity and reproduction of various fungi, have a …
metabolism, manifestation of functional activity and reproduction of various fungi, have a …
A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS …
Synthesis, characterization and theoretical studies of a novel coumarin-triazole-thiophene
hybrid 4-(((4-ethyl-5-(thiophen-2-yl)-4 H-1, 2, 4-triazol-3-yl) thio) methyl)-6, 7-dimethyl-2 H …
hybrid 4-(((4-ethyl-5-(thiophen-2-yl)-4 H-1, 2, 4-triazol-3-yl) thio) methyl)-6, 7-dimethyl-2 H …
New phosphinic and phosphonic acids: Synthesis, antidiabetic, anti-Alzheimer, antioxidant activity, DFT study and SARS-CoV-2 inhibition
Two new α-aminophosphinic (A) and α-aminophosphonic (B) acids were synthesized
through a one-pot three-component reaction with good yields of 89% and 85%, respectively …
through a one-pot three-component reaction with good yields of 89% and 85%, respectively …
Synthesis, characterization and computational analysis of thiophene-2, 5-diylbis ((3-mesityl-3-methylcyclobutyl) methanone)
In this work, we report synthesis, characterization and computational studies of the
symmetric thiophene-based compound thiophene-2, 5-diylbis ((3-mesityl-3 …
symmetric thiophene-based compound thiophene-2, 5-diylbis ((3-mesityl-3 …
Synthesis, spectral characterization, DFT and in silico ADME studies of the novel pyrido [1, 2-a] benzimidazoles and pyrazolo [3, 4-b] pyridines
AS Badran, MA Ibrahim - Journal of Molecular Structure, 2023 - Elsevier
The chemical behavior of 3-substituted-6, 8-dimethylchromones 1-3 was studied towards
two selected nucleophiles namely 1H-benzimidazol-2-ylacetonitrile (R1) and 5-amino-2, 4 …
two selected nucleophiles namely 1H-benzimidazol-2-ylacetonitrile (R1) and 5-amino-2, 4 …
New aromatic hydrazones: Synthesis, structural analysis, DFT study, biological activity, ADME-T properties and in silico evaluation of their inhibition of SAS-CoV-2 …
L Adjissi, N Chafai, K Benbouguerra, I Kirouani… - Journal of Molecular …, 2023 - Elsevier
Three new hydrazones namely:(2E)-1-(4-methylphenyl-2-[(thiophen-2-yl) methylidene]
hydrazine (HZ-1),(2E)-1-(4-methylphenyl)-2-[(thiophen-3yl) methylidene] hydrazine (HZ-2) …
hydrazine (HZ-1),(2E)-1-(4-methylphenyl)-2-[(thiophen-3yl) methylidene] hydrazine (HZ-2) …
Antioxidant activity of new synthesized imine and its corresponding α-aminophosphonic acid: Experimental and theoretical evaluation
A Schiff base (I1) and its corresponding α-aminophosphonic acid (P1) were synthesized
using a simple and rapid preparation method and with a chemical yield of up to 75% and …
using a simple and rapid preparation method and with a chemical yield of up to 75% and …