Antibacterial activity of flavonoids and their structure–activity relationship: An update review

F Farhadi, B Khameneh, M Iranshahi… - Phytotherapy …, 2019 - Wiley Online Library
Based on World Health Organization reports, resistance of bacteria to well‐known antibiotics
is a major global health challenge now and in the future. Different strategies have been …

Recent advances in the antioxidant activity and mechanisms of chalcone derivatives: A computational review

A Mittal, VK Vashistha, DK Das - Free Radical Research, 2022 - Taylor & Francis
In this review, we have reported the antioxidant mechanisms and structure-antioxidant
activity relationship of several chalcone derivatives, investigated in the recent past, based on …

Synthesis, spectroscopic (13C/1H-NMR, FT-IR) investigations, quantum chemical modelling (FMO, MEP, NBO analysis), and antioxidant activity of the bis …

A Ouaket, A Chraka, I Raissouni, MA El Amrani… - Journal of Molecular …, 2022 - Elsevier
In the current study, we first synthesized the molecule 1, 2-Bis (2-benzimidazolyl)-1, 2-
ethanediol, called C1. The structural properties of C1 were explored by spectroscopic …

Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach

CS Abraham, S Muthu, JC Prasana… - … Acta Part A: Molecular …, 2019 - Elsevier
[N-(carboxymethyl) anilino] acetic acid (PIDAA) molecule has been spectroscopically
characterized and computationally investigated for its fundamental reactive properties by a …

Experimental and DFT insights into molecular structure and optical properties of new chalcones as promising photosensitizers towards solar cell applications

MM Makhlouf, AS Radwan, B Ghazal - Applied Surface Science, 2018 - Elsevier
A new series of (hydroxyl-arylazo)-chalcone derivatives (5a→ e) has been prepared by
condensation of 4-(4-acetylphenyl)-azo dyes 3 with 4-anisaldehyde in basic medium. The …

Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered …

RR Pillai, K Karrouchi, S Fettach, S Armaković… - Journal of Molecular …, 2019 - Elsevier
The synthesis, spectroscopic characterization, reactivity study and evaluation of antioxidant
and α-glucosidase inhibitory activities of two Schiff bases containing 1, 2, 4-triazole and …

Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

YS Mary, PB Miniyar, YS Mary, KS Resmi… - Journal of Molecular …, 2018 - Elsevier
Local reactivity properties and potential for application in new pharmaceutical compounds
have been addressed for the three newly synthetized oxadiazole derivatives (2-(5-(2 …

Density functional theory studies of the antioxidants—a review

S Mahmoudi, MM Dehkordi… - Journal of Molecular …, 2021 - Springer
The following review article attempts to compare the antioxidant activity of the compounds.
For this purpose, density functional theory/Becke three-parameter Lee–Yang–Parr …

Molecular structure, second-and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative:(2E)-3-(4-fluorophenyl)-1 …

SR Maidur, PS Patil, A Ekbote, TS Chia… - Spectrochimica Acta Part …, 2017 - Elsevier
In the present work, the title chalcone,(2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)
methylene] amino} phenyl) prop-2-en-1-one (abbreviated as FAMFC), was synthesized and …

Synthesis, spectroscopic characterization and antibacterial evaluation by chalcones derived of acetophenone isolated from Croton anisodontus Müll. Arg.

PT Da Silva, J da Cunha Xavier, TS Freitas… - Journal of molecular …, 2021 - Elsevier
Chalcones and their derivatives have been widely studied at research institutions and
industries, in order to verify their biological properties against various diseases. In this work …