الأبحاث المنشورة
عرض جميع الأبحاث (20)
2026
Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies
SPRINGER/PLENUM PUBLISHERS
Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study
ELSEVIER SCIENCE INC
New catalyst for synthesis of cyclic nucleosides: Insights into silyl-Hilbert-Johnson reaction, ADME survey, dynamic simulation and molecular docking studies targeting HCV
ELSEVIER
Design, synthesis and computational evaluation of 1,2,3-triazole-Schiff base hybrid as AKT1 inhibitor for breast cancer
ELSEVIER
Ceramic material based on mullite-modified bentonite: impedance and dielectric characterization for electronic applications
SPRINGER
Multimodal investigation of dacomitinib–calf thymus DNA binding interaction: insights from spectroscopy, thermodynamics, and in-silico studies
RSC advanced
Multimodal investigation of dacomitinib-calf thymus DNA binding interaction: insights from spectroscopy, thermodynamics, and in-silico studies
RSC ADVANCES
Corrosion inhibition and molecular safety assessment of debo for carbon steel in hydrochloric acid: Experimental, DFT, docking, ADMET and molecular dynamics insights
Journal of Molecular Structure
Efficient corrosion inhibition performance of E24 steel by a benzo[d]oxazole derivative: Insights from DFT and molecular dynamics simulations
Journal of Molecular Structure
2025
123 -Triazole Thiosemicarbazone Synthesis Molecular structure DFT calculations Molecular docking Molecular dynamics
Computational Biology and Chemistry
COVID-19 detection via isobutyric acid biomarker: A DFT computational study on beryllium-doped C60 fulleren
Journal of Molecular Graphics and Modelling
BAGI-Validated First Derivative Synchronous Fluorescence Spectroscopy for Sustainable Impurity Profiling of Meclizine: Clinical Implications for Maternal–Fetal Safety
LUMINESCENCE
Development of GO-NU1000 MOF Electrode and Sustainable HNFM@ZnCl3 DES Electrolyte, Solvent and Catalyst: A Rapid Electro-Organic C-H Amination Approach for Synthesizing Indoles and Evaluation of Their Anti-Cancer Activity
Applied Organometallic Chemistry
Design, Synthesis, Biological Evaluation and In Silico Study of Quinazoline-Based Dual Inhibitors Targeting EGFR and VEGFR-2
Arabian Journal of Chemistry
Sustainable Innovative Nanofibers Containing Cobalt-MOF: A Dual-Action Solution for Microbial and Chemical Wastewater Contamination
Frontiers in Chemistry
Synthesis of Rh-MOF/PVA-PVP nanofibers for skin cancer and infection inhibition
Frontiers in Chemistry
Anticancer potential of novel benzothiazolyl piperidine-3-carboxamide derivatives as CDKs and VEGFR2 multi-target kinase inhibitors
Journal of Computer-Aided Molecular Design
Harnessing the power of novel ruthenium-MOF for efficient wastewater treatment
Frontiers in materials
Drug Repurposing for the Discovery of Potential Inhibitors Targeting DJ-1 (PARK7) Against Parkinson’s Disease
Crystals
Unraveling the molecular interaction of Larotrectinib with calf thymus DNA: A comprehensive study using multi-spectroscopic, thermodynamic, and computational techniques
Biophys Chemistry