Chemistry, Physical and Theoretical Chemistry, Organic Chemistry, Drug Guides
12006
Scholar Citations
52
Scholar h-index
289
Scholar i10-index
RECENT SCHOLAR PUBLICATIONS
Computational Design of Novel D-π-A-π-A Organic Sensitizers for DSSCs: Unveiling the Effect of Auxiliary Acceptor Groups A Azaid, M Bouachrine, T Abram, R Kacimi, M Elhadjaoui, R Marzouk, ... Physical Chemistry Research, e243460 , 2026 2026
Computational investigation of bisquinoline derivatives as potential c-met kinase inhibitors: 3D-QSAR, molecular docking, dynamics simulations, and ADME-Tox studies M Boutalaka, M Ouabane, A Guendouzi, H Maghat, T Lakhlifi, ... Heliyon 12 (8) , 2026 2026
Machine Learning Modeling of Olfactory Thresholds of Pyrazine Derivatives Using Cheminformatics Descriptors M Ouabane, K Zaki, A Sbai, T Lakhlifi, M Bouachrine RHAZES: Green and Applied Chemistry 24 , 2026 2026
Computational Discovery of Novel PTP1B Inhibitors with Antidiabetic Potential L Naanaai, A El Aissouq, Y Ech-Chahdi, H Zaitan, M Bouachrine, F Khalil Moroccan Journal of Chemistry 14 (2), 600-620 , 2026 2026
Comparative study on the photophysical properties of newly synthesized organic material based on poly (9-vinylcarbazole)(PVK) and poly (3-alkylthiophene) designed for a new … M Bouachrine, N Wazzan, A Kamel Journal of Materials Science: Materials in Electronics 37 (9), 643 , 2026 2026
Computational investigation of medicinal plants’ active ingredient effects as a potential Zika virus treatment: molecular docking, molecular dynamics simulations, ADMET … F Elbamtari, E Belghalia, K Zaki, M Alaqarbeh, A Guendouzi, A Sbai, ... Journal of Molecular Modeling 32 (3), 61 , 2026 2026
Bio-extracted chitosan-functionalized Mg–Al bimetallic as an innovative hybrid catalyst for green and sustainable synthesis of bioactive molecules with medicinal potential J Houssaini, EL M’hamed, H Ziyat, S Arhzaf, MN Bennani, M Bouachrine Journal of Organometallic Chemistry, 124090 , 2026 2026 Citations: 2
Integrated Computational Investigation of Cannabis sativa Phytoconstituents as Putative Multi-Target Inhibitors in Skin Cancer: A Molecular Docking, Dynamics … LE Bouamri, S Laaouina, I Lakrim, H Nour, I Yamari, A Samadi, ... Pharmaceuticals 19 (2), 315 , 2026 2026 Citations: 3
Moroccan virgin olive oil triterpenes: HPLC-DAD-ELSD profiling and computational investigation of anti-diabetic potential M Boutalaka, N Ouazzani, M Ouabane, P Stathopoulos, A Guendouzi, ... BioImpacts: BI 16, 31007 , 2026 2026
Exploring Pyrazole and Spiropyrazoline Derivatives as Acetylcholinesterase Inhibitors for Alzheimer's Treatment: An In-Silico Study Combining Monte Carlo Optimization, HQSAR … A Sbai, MA El Alaouy, H Maghat, T Lakhlifi, M Bouachrine Moroccan Journal of Chemistry 14 (1), J. Chem. 14 (1)-135 , 2026 2026
In silico studies of N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl) piperazine-1-carboxamide derivatives as potent TRPV1 antagonists using 3D QSAR, ADMET and Molecular Docking A Toughzaoui, O Chedadi, A El Aissouq, Y El Ouardi, M Bouachrine, ... Journal of the Mexican Chemical Society, e2105-e2105 , 2026 2026
Anticancer Activity in Heterocyclic Organic Structures: A Pathway to Novel Drug Development Part 1 L El Mchichi, M Bouachrine, T Lakhlifi CRC Press , 2025 2025 Citations: 3
ZnO Nanocatalyst-Enabled Microwave-Assisted Solvent-Free Synthesis of Functional Amidoalkyl-2-naphthol Derivatives: A Synergistic Experimental and Quantum Chemical Study AR Daniel Aroquiaraj, P Vivekanandan, KS Satheeshkumar, ... ACS omega 10 (51), 62881-62894 , 2025 2025
In Silico Study of (Hetero) arylidene-(4-substituted-thiazol-2-yl) Hydrazine Derivatives as hMAO-B Inhibitors: Development and Evaluation of QSAR Models Using Monte Carlo and … MA El Alaouy, KTA Sbai, H Maghat, T Lakhlifi, M Bouachrine Philippine Journal of Science 154 (6B), 1565-1589 , 2025 2025
Computational study of new isatin molecules as potential Thymidine Phosphorylase (TP) inhibitors against cancer activity. 3D-QSAR, Molecular Docking, ADME-Tox, and molecular … R EL-Mernissi, M Alaqarbeh, A Khaldan, A Sbai, MA Ajana, T Lakhlifi, ... Journal of the Mexican Chemical Society 69 (4), 755-776 , 2025 2025 Citations: 1
Molecular insight, rational chemical design and computational assessment of thiazole-based DHODH inhibitors: from structural modelling to binding free energy calculations K Zaki, M Ouabane, A Guendouzi, M Alaqarbeh, A Sbai, C Sekkate, ... Journal of Biomolecular Structure and Dynamics, 1-22 , 2025 2025 Citations: 1
Synthesis, structural characterization, spectroscopic analyses, DFT-modeling, and RDG-NCI assessment of 4-dimethylaminopyridinium dihydrogen monophosphate L Guelmami, M Dhifet, K Zaki, N Alwadai, H Khmissi, M Bouzidi, ... Frontiers in Chemistry 13, 1701702 , 2025 2025 Citations: 5
DFT/TD-DFT-Guided Design of Conjugated Thiophene–Oxadiazole Donors for Organic Photovoltaics F Agda, M Messali, D Nebbach, A Sabik, M Alaqarbeh, N El Messaoudi, ... Materials Today Communications, 114318 , 2025 2025 Citations: 2
Integrated Experimental and Theoretical Exploration of Bioactive 2‐Naphthol‐Based Acetamides: Solvent‐Free Synthesis, DFT/NLO/QTAIM Characterization, and Protein‐Ligand Interaction P Vivekanandan, A Daniel Aroquiaraj, KS Satheeshkumar, ... ChemistrySelect 10 (43), e04491 , 2025 2025 Citations: 1
Design and Evaluation of Piperazine‐Based CB1 Antagonists as Promising Therapeutic Candidates for Obesity Treatment A Fakkahi, K Zaki, A Guendouzi, MA Ajana, A Sbai, T Lakhlifi, ... ChemistrySelect 10 (41), e04557 , 2025 2025
MOST CITED SCHOLAR PUBLICATIONS
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations I Aanouz, A Belhassan, K El-Khatabi, T Lakhlifi, M El-Ldrissi, ... Journal of Biomolecular Structure and Dynamics 39 (8), 2971-2979 , 2021 2021 Citations: 424
Thermodynamic characterisation of steel corrosion in HCl in the presence of 2-phenylthieno (3, 2-b) quinoxaline I El Ouali, B Hammouti, A Aouniti, Y Ramli, M Azougagh, EM Essassi, ... J. Mater. Environ. Sci 1 (1), 1-8 , 2010 2010 Citations: 195
Gravimetric, electrochemical and quantum chemical studies of some pyridazine derivatives as corrosion inhibitors for mild steel in 1 M HCl solution A Khadiri, R Saddik, K Bekkouche, A Aouniti, B Hammouti, N Benchat, ... Journal of the Taiwan Institute of Chemical Engineers 58, 552-564 , 2016 2016 Citations: 185
DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells M Bourass, AT Benjelloun, M Benzakour, M Mcharfi, M Hamidi, ... Chemistry Central Journal 10 (1), 67 , 2016 2016 Citations: 179
Dielectric properties, AC conductivity, and electric modulus analysis of bulk ethylcarbazole‐terphenyl H Bouaamlat, N Hadi, N Belghiti, H Sadki, M Naciri Bennani, F Abdi, ... Advances in Materials Science and Engineering 2020 (1), 8689150 , 2020 2020 Citations: 168
A theoretical study on the inhibition efficiencies of some quinoxalines as corrosion inhibitors of copper in nitric acid A Zarrouk, B Hammouti, A Dafali, M Bouachrine, H Zarrok, S Boukhris, ... Journal of Saudi Chemical Society 18 (5), 450-455 , 2014 2014 Citations: 168
Inhibitive properties, adsorption and theoretical study of 3, 7-dimethyl-1-(prop-2-yn-1-yl) quinoxalin-2 (1H)-one as efficient corrosion inhibitor for carbon steel in … A Zarrouk, H Zarrok, Y Ramli, M Bouachrine, B Hammouti, ... Journal of Molecular Liquids 222, 239-252 , 2016 2016 Citations: 166
A theoretical investigation on the corrosion inhibition of copper by quinoxaline derivatives in nitric acid solution A Zarrouk, H Zarrok, R Salghi, B Hammouti, SS Al-Deyab, R Touzani, ... International Journal of Electrochemical Science 7 (7), 6353-6364 , 2012 2012 Citations: 162
Corrosion inhibition of copper in nitric acid solutions using a new triazole derivative B Hammouti, H Zarrok, M Bouachrine, KF Khaled, SS Al-Deyab International Journal of Electrochemical Science 7 (1), 89-105 , 2012 2012 Citations: 154
Weight loss measurement and theoretical study of new pyridazine compound as corrosion inhibitor for C38 steel in hydrochloric acid solution H Zarrok, H Oudda, A Zarrouk, R Salghi, B Hammouti, M Bouachrine Der Pharma Chemica 3 (6), 576-590 , 2011 2011 Citations: 153
Evaluation of N-containing organic compound as corrosion inhibitor for carbon steel in phosphoric acid A Zarrouk, H Zarrok, R Salghi, B Hammouti, F Bentiss, R Touir, ... J Mater Environ Sci 4 (2), 177-192 , 2013 2013 Citations: 150
Theoretical investigation of new thiazolothiazole-based D-π-A organic dyes for efficient dye-sensitized solar cell A Fitri, AT Benjelloun, M Benzakour, M Mcharfi, M Hamidi, M Bouachrine Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 124, 646-654 , 2014 2014 Citations: 130
Density functional theory (B3LYP/6-31G*) study of oligothiophenes in their aromatic and polaronic states SM Bouzzine, S Bouzakraoui, M Bouachrine, M Hamidi Journal of Molecular Structure: THEOCHEM 726 (1-3), 271-276 , 2005 2005 Citations: 122
Weight loss, electrochemical, quantum chemical calculation, and molecular dynamics simulation studies on 2-(benzylthio)-1, 4, 5-triphenyl-1H-imidazole as an inhibitor for … DB Hmamou, R Salghi, A Zarrouk, MR Aouad, O Benali, H Zarrok, ... Industrial & Engineering Chemistry Research 52 (40), 14315-14327 , 2013 2013 Citations: 118
The role of acridin-9 (10H)-one in the inhibition of carbon steel corrosion: thermodynamic, electrochemical and DFT studies AH Al Hamzi, H Zarrok, A Zarrouk, R Salghi, B Hammouti, SS Al-Deyab, ... International Journal of Electrochemical Science 8 (2), 2586-2605 , 2013 2013 Citations: 118
Gravimetric and quantum chemical studies of 1-[4-acetyl-2-(4-chlorophenyl) quinoxalin-1 (4H)-yl] acetone as corrosion inhibitor for carbon steel in hydrochloric acid solution H Zarrok, A Zarrouk, R Salghi, H Oudda, B Hammouti, M Assouag, ... J Chem Pharm Res 4 (12), 5056-5066 , 2012 2012 Citations: 117
Thermodynamic characterisation and density functional theory investigation of 1, 1', 5, 5'-Tetramethyl-1H, 1'H-3, 3'-bipyrazole as corrosion inhibitor of C38 steel corrosion in HCl H Zarrok, SS Al-Deyab, A Zarrouk, R Salghi, B Hammouti, H Oudda, ... International Journal of Electrochemical Science 7 (5), 4047-4063 , 2012 2012 Citations: 113
A combined experimental and theoretical study on the corrosion inhibition and adsorption behaviour of quinoxaline derivative during carbon steel corrosion in hydrochloric acid H Zarrok, A Zarrouk, R Salghi, H Oudda, B Hammouti, M Ebn Touhami, ... Port. Electrochim. Acta 30 (6), 405-417 , 2012 2012 Citations: 104
Theoretical approach to the corrosion inhibition efficiency of some quinoxaline derivatives of steel in acid media using the DFT method A Zarrouk, I El Ouali, M Bouachrine, B Hammouti, Y Ramli, EM Essassi, ... Research on Chemical Intermediates 39 (3), 1125-1133 , 2013 2013 Citations: 103
Theoretical design of thiazolothiazole-based organic dyes with different electron donors for dye-sensitized solar cells A Fitri, AT Benjelloun, M Benzakour, M Mcharfi, M Hamidi, M Bouachrine Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 232-238 , 2014 2014 Citations: 101