Zakia Messasma

An unexpected single crystal structure of nickel(II) complex: Spectral, DFT, NLO, magnetic and molecular docking studies

A. Ourari, S. Bouacida, Djouhra Aggoun, 2022, Journal of Molecular Structure.

Synthesis, characterization and DFT investigation of new metal complexes of Ni(II), Mn(II) and VO(IV) containing N,O-donor Schiff base ligand

E. Morallón, A. Ourari, R. Berenguer, 2021 .

Synthesis, spectral characterization, DFT computational studies and inhibitory activity of novel N 2 S 2 tetradentates Schiff bases on metallo-beta-lactamases of Acinetobacter baumannii

A. Ourari, E. Bentouhami, Djouhra Aggoun, 2018, Journal of Molecular Structure.

Biological activities, DFT calculations and docking of imines tetradentates ligands, derived from salicylaldehydic compounds as metallo-beta-lactamase inhibitors

A. Ourari, Djouhra Aggoun, Zakia Messasma, 2020 .

Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (Mpro) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies

Zakia Messasma, Selma Houchi, 2022, Journal of Molecular Structure.

Interaction of a Novel Inorganic Nickel Complex with Tyrosinase as Potential Inhibitor: Synthesis, Spectroscopic, DFT, NBO, Docking and ADMET Properties.

A. Ourari, M. Fernández-García, Djouhra Aggoun, 2023, Journal of Molecular Structure.