Microwave-assisted synthesis, antioxidant activity, docking simulation, and DFT analysis of different heterocyclic compounds

MA Shalaby, AM Fahim, SA Rizk - Scientific Reports, 2023 - nature.com
In this investigation, pressure microwave irradiation was used to clarify the activity of 1-(2-
hydroxyphenyl)-3-(4-methylphenyl) prop-2-en-1-one (3) towards several active methylene …

Spectroscopic analysis by NMR, FT-Raman, ATR-FTIR, and UV-Vis, evaluation of antimicrobial activity, and in silico studies of chalcones derived from 2 …

J da Cunha Xavier, FWQ de Almeida-Neto… - Journal of Molecular …, 2021 - Elsevier
Six 2'-hydroxychalcones were synthesized and characterized by NMR, FT-Raman, ATR-
FTIR, and UV-Vis. These chalcones alone and in combination with the ciprofloxacin …

[HTML][HTML] Physicochemical, spectral, molecular docking and ADMET studies of Bisphenol analogues; A computational approach

M Uzzaman, MK Hasan, S Mahmud, A Yousuf… - Informatics in medicine …, 2021 - Elsevier
Bisphenols are widely used in polymer and packaging industries. But they are
contaminating the environment and food chain by degradation, particularly affecting to the …

The metal sensing applications of chalcones: The synthesis, characterization and theoretical calculations

H Karaca, S Kazancı - Journal of Molecular Structure, 2022 - Elsevier
In this study, three different chalcone compounds were synthesized by Aldol condensation
reaction. 4-hydroxybenzaldehyde and ketone compounds (acetophenone, acetofuran and …

Characterization of the structural, spectroscopic, nonlinear optical, electronic properties and antioxidant activity of the N-{4'-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en …

FWQ Almeida-Neto, LP da Silva, MKA Ferreira… - Journal of Molecular …, 2020 - Elsevier
Abstract The molecule N-{4'-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en-1-one]} chalcone
(PAAPFBA) was recently synthesized due to the growing interest in the chemistry of the …

Medicinal and toxicological investigation of some common NSAIDs; A computer-aided drug design approach

M Uzzaman, K Fatema, S Akhter, MR Hossain… - Journal of Molecular …, 2023 - Elsevier
Nonsteroidal anti-inflammatory drugs (NSAIDs) are commonly used for the treatment of pain,
fever, and inflammation. Their consumption rises some crucial side effects like …

2'-Hydroxy-4', 5'-dimethyl-4-dimethylaminochalcone, a novel fluorescent flavonoid with capacity to detect aluminium in cells and modulate Alzheimer's disease targets

F Kamecki, C Marcucci, M Ferreira-Gomes… - … of Photochemistry and …, 2021 - Elsevier
Alzheimer's disease (AD) is a progressive multifactorial neurodegenerative disorder with
several factors contributing to its aetiology such as abnormal protein aggregation (eg, β …

The competitive mechanism between photoisomerization and excited state intramolecular proton transfer process of 2′-Hydroxychalcone system

L Zhao, G Xu, Y Guo, H Zheng, P Dong… - Journal of Photochemistry …, 2023 - Elsevier
The photoisomerization and excited state intramolecular proton transfer (ESIPT) are the
most common processes in molecular photoswitches. Their coexistence and competing …

Structural and spectroscopic analysis and evaluation of cytotoxic activity of 2-hydroxychalcones against human cancer cell lines

ALAB Leal, DP Pinheiro… - Journal of Molecular …, 2021 - Elsevier
Chalcones and their derivatives exhibit a broad spectrum of pharmacological activities,
including antiproliferative activities. Accordingly, they are deemed robust anticancer …

[HTML][HTML] Spectrochemical, biological, and toxicological studies of DDT, DDD, and DDE: An in-silico approach

MF Afrin, E Kabir, MROK Noyon, N Akter… - Informatics in Medicine …, 2023 - Elsevier
Pesticides are used to control the various pests and disease carriers. Degradation and/or
biotransformation alter their chemical and toxicological nature. An attempt has been taken to …