A. Elhenawy

Ternary TiO 2 /ZnO/NiO Nanocatalyst Mediated Green Synthesis of Pyrazole Heterocycles: Insights From Computational Modeling and Fluorescence Studies

In this study, a novel ternary nanocatalytic system TiO 2 /ZnO/NiO was synthesized via sol gel method and characterized using UV–visible DRS, XPS, XRD, and SEM techniques. This nanocatalyst promoted the solvent‐free, eco‐friendly synthesis of pyrazole heterocycles through a one pot reaction of aldehyde, active...

Dual-action antibacterial and anticancer agents: Design, synthesis, and mechanistic investigation of novel 4H-pyran-pyrazole hybrids.

This study involved the design, synthesis, and comprehensive biological evaluation of a new library of 4H-pyran-pyrazole hybrid molecules. The compounds were synthesized via versatile multicomponent and cyclocondensation reactions and characterized using spectroscopic techniques. Their biological potential was assessed...

Structural diversity of bidentate and tridentate pyrazole ligands: implications for catalysis and biological activity

tris‐Schiff Base Derivatives Containing Flurbiprofen as Potential Tyrosinase Inhibitors: Synthesis, In Vitro Evaluation, Molecular Docking, DFT and Dynamics Simulations

ABSTRACT A novel series of tris‐Schiff bases of flurbiprofen has been synthesised via multi‐step reactions, structures were deduced by means of HR‐ESI‐MS, 13C‐ and 1H‐NMR spectroscopy and screened for their in vitro tyrosinase inhibitory potential. All the synthetic derivatives attributed noteworthy inhibition except c...

Synthesis and characterization of selected new thiazolidine-2,4-diones derivatives: SwissADME and density-functional-theory analysis

All newly synthesized thiazolidine-2,4-dione derivatives showed encouraging therapeutic potential according to in silico studies, suggesting that they might be a possible therapeutic target.

Evaluation of the chemical components, cytotoxicity, antioxidant, antidiabetic, and anti-inflammatory properties of oil from Opuntia ficus indica seeds grown in the Al Baha region based on a molecular docking study

Molecular docking analysis revealed that the identified seed oil constituents interact with protein targets associated with cytotoxic, anti-inflammatory, antidiabetic, and antioxidant activities.

Synthesis of thiosemicarbazone derivatives of thiophene-2-carboxylic acid as potent urease inhibitors: in vitro evaluation, molecular docking, and density functional theory analysis.

AIMS To synthesize and evaluate a series of thiosemicarbazone derivatives (2a-2g) incorporating thiophene-2-carboxylic acid as urease inhibitors. MATERIALS AND METHODS The compounds were synthesized and characterized using modern spectroscopic techniques. In vitro urease inhibition was determined followed by computat...

Phytochemical characterization and bioactivity evaluation of Artemisia abyssinica methanolic extract as a baseline for bioresource exploration

The phytochemical composition of the methanolic extract of Artemisia abyssinica aerial parts was comprehensively characterized and its phytochemical richness and early-stage bioactivity were highlighted, supporting its relevance for further pharmaceutical investigation as well as its potential as a natural bioresource...

Synthesis of polyhydroquinoline derivatives as potent antidiabetic and antioxidant agents: in vitro biological activities and computational studies.

These integrated experimental and computational results demonstrate that the polyhydroquinoline scaffold represents a promising platform for developing next-generation antidiabetic therapeutics with enhanced efficacy and favorable safety profiles.