Research output

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Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Hanane Lamraoui, Nadjiba Zegheb, Lotfi Benmekhbi, Amina Khadri, Saida Ababsa, Imane Lamraoui, Messaouda Lamraoui, Linda Aissani, A. Bouchemma

ChemistrySelectVolume 8، (41)2023Article Closed access 3

EVALUATION OF FERROCENYLMETHYLNUCLEOBASES DERIVATIVES INTERACTING WITH DNA: INSIGHTS FROM ELECTROCHEMICAL, SPECTROSCOPIC, DFT CALCULATION, MOLECULAR DOCKING AND MOLECULAR DYNAMIC SIMULATIONS

Mohammed Larbi Benamor, Elhafnaoui Lanez, Yahia Bekkar, Aicha Adaika, Touhami Lanez, Kaouther Nesba, Lazhar Bechki

Studia Universitatis Babeș-Bolyai ChemiaPages 111-1322025Article Open access 6

Synthesis, Antioxidant, and Antidiabetic Potential of Ferrocenylmethylnucleobase Compounds: In Vitro, In Silico Molecular Docking, DFT Calculation, and Molecular Dynamic Simulations

Aicha Adaika, Yahia Bekkar, Souhir Youmbai, Lotfi Bourougaa, Elhafnaoui Lanez, Mohammed Larbi Ben Amor, Kaouther Nesba, Touhami Lanez, Lazhar Bechki

Applied Organometallic ChemistryVolume 39، (2)2025Article Closed access 27

Experimental and quantum chemical studies on molecular structure, spectroscopic analysis, NLO analysis and HOMO-LUMO of substituted N-ferrocenylmethyl-N-phenylamides

Nadjiba Zegheb, C. Boubékri, Touhami Lanez, Aicha Kerassa

Journal of Fundamental and Applied SciencesVolume 13، (1)، Pages 264-2912021Article Open accessSeveral sources 3

Evaluating the corrosion inhibition potential of two innovative N-benzyl-5-bromo isatin derivatives for carbon steel in alkaline environments: insights from DFT, SAR and toxicology

Adel Khiouani, Salah Eddine Hachani

Revue Roumaine de ChimieVolume 69، (3-4)، Pages 191-1992024Article Open access 1

DFT Study of the Adsorption Behavior of Adenine on the Nano-SiO2 Cluster

Nassima Meftah, Aicha Keressa, Salah Belaıdı, Ali Shokuhi Rad, Leena Sinha, Onkar Prasad

SiliconVolume 15، (8)، Pages 3623-36352023Article Closed access 5

DFT investigation of the encapsulation potential of calix[4]arene towards methane (CH4).

Ibtissem Meriem ASSABA, Youghorta BELHOCINE, Mahamadou Seydou

2020Paper Open access

A DFT STUDY OF HYPER-RAYLEIGH SCATTERING (HRS) FIRST HYPERPOLARIZABILITY OF SUBSTITUTED POLYENE: PART (II)

Labidi, N.S

Journal of Fundamental and Applied SciencesVolume 14، (1)2022Article Open access

In Vitro Antimicrobial Activity, DFT/ADMET Studies And Molecular Docking of N-Salicylidene-O-Substituted-Aniline as Inhibitors of HERG I and HERG II

Mohamed Yazid Belghit

Journal of Propulsion Technology2024Article Open access

Ferrocenylmethylnucleobases Synthesis, DFT Calculations, Electrochemical and Spectroscopic Characterization

Elhafnaoui Lanez, Lazhar Bechki, Touhami Lanez

Chemistry & Chemical TechnologyVolume 14، (2)، Pages 146-1532020Article Closed access 7

Crystal structure of 2,4,5-trimethoxybenzaldehyde C10H12O4 determined by X-ray iffraction and compared to molecular conformation calculated from quantum chemistry (DFT)

Bouraoui, H., Boudjada, A., Mechehoud, Y., Medjeni, M., Meinnel, J.

2018Paper Open access

Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches

Ridha Bendaas, Yahia Bekkar, L. Messaadia, Lotfi Bourougaa, Abdelatif Messaoudi, S. Kiamouche, M. Benamira

Journal of Molecular ModelingVolume 30، (3)، Pages 872024Article Closed access 33

Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations

Adel Khiouani, Salah Eddine Hachani, Ilhem Selatnia, Nadia Nebbache, Sofiane Makhloufi

Journal of the Indian Chemical SocietyVolume 99، (7)، Pages 1004972022Article Closed access 29

Theoretical Evaluation of the Potency of some Tetracycline Molecules as Anti-Brucella Agents: DFT and Molecular Docking Approaches

Dayo ,Felix LATONA -Oyeronke ,Damilola EESUO-

Algerian Journal of Chemical EngineeringVolume 3، (1)2022Article Open access

Ring Opening of 1,1’-Sulfonyl Bis-Aziridines Derived from L-Amino Acids and DFT Study of the Affinity Toward Different Nucleophiles

Nawel Khettache, Mohamed Dehamchia, Sihem Hessainia, Tahar Abbaz, Zine Régaı̈nia

Letters in Organic ChemistryVolume 18، (12)، Pages 977-9862021Article Closed access

Structural, Stabilities and Energetic properties of BGen clusters: A DFT Study

Meriem Benaida, Kamal Eddine Aiadi, Sofiane Mahtout, Zitouni

2019Paper Open access

Combined In Vitro and In Silico analysis of ferrocenylmethylaniline derivatives: Antibacterial potential, DFT calculations, and molecular dynamics insights

Yahia Bekkar, Elhafnaoui Lanez, Touhami Lanez, Lotfi Bourougaa, Aicha Adaika, Aida Benine, Zahra Saada

Journal of Organometallic ChemistryVolume 1032، Pages 1236182025Article Closed access 16

The power of novel morpholinyl Mannich bases to protect N80 steel against corrosion in acidic environment: DFT and SAR investigations

Khaoula Kouchkar, Adel Khiouani, Salah Eddine Hachani, Youcef Boumedjane, Abdelhek Meklid, Sofiane Makhloufi

Revue Roumaine de ChimieVolume 68، (10-12)، Pages 569-5762024Article Open access

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Dft Studies and DNA Binding Interactions of N-Ferrocenylmethyl-N-(3-Cyanophenyl)Acetamide

Touhami Lanez, Elhafnaoui Lanez, Meriem Henni

2025Preprint Open access

Antidiabetic Potential of Synthesized Ferrocenylmethylaniline Derivatives: Insights From In Vitro Studies, Molecular Docking, ADMET, DFT Calculations, and Molecular Dynamics Simulation

Yahia Bekkar, Elhafnaoui Lanez, Touhami Lanez, Lotfi Bourougaa, Aicha Adaika, Zahra Saada, Aida Benine

Biotechnology and Applied BiochemistryVolume 73، (1)، Pages 198-2112025Article Closed access 14