Mohammed Bouachrine

RESEARCH, TEACHING, or OTHER INTERESTS

Chemistry, Physical and Theoretical Chemistry, Organic Chemistry, Drug Guides

RECENT SCHOLAR PUBLICATIONS

Computational Investigation of Potent EGFR Inhibitors from Flavonoid-Based Phytochemical Constituents of Caralluma Europaea as Pancreatic Cancer Agents
K El Khatabi, M Alaqarbeh, HM Rehman, MA Ajana, T Lakhlifi, ...
Physical Chemistry Research 12 (4), 963-974 2024



Exploring Phenoxazinone Synthase Activities: Experimental and Theoretical Analyses of Symmetrical Azine Ligands
H Meziane, Z Abbaoui, M Ouabane, A Djedouani, S Chetioui, M El Kodadi, ...
Physical Chemistry Research 12 (4), 859-868 2024



From farm to pharma: Investigation of the therapeutic potential of the dietary plants Apium graveolens L., Coriandrum sativum, and Mentha longifolia, as AhR modulators for
K Zaki, M Ouabane, A Guendouzi, A Sbai, C Sekkate, M Bouachrine, ...
Computers in Biology and Medicine 181, 109051 2024



Inhibition of the Janus kinase protein (JAK1) by the A. Pyrethrum Root Extract for the treatment of Vitiligo pathology. Design, Molecular Docking, ADME-Tox, MD Simulation, and
M Ouabane, K Zaki, H Zaki, A Guendouzi, A Sbai, C Sekkate, T Lakhlifi, ...
Computers in Biology and Medicine 179, 108816 2024



Study of the Anticancer Potential of Cannabidiol Using Computational Methods
MB SOUMIA AISSAOUI 1 Halima Hajji, Hanane ZAKI, Marwa Alaqarbeh, Samir ...
Physical and Chemical Research 12 (3), 783-800 2024



In Silico Approach for Developing New Anti-Tuberculosis Drug Candidates: 3D-QSAR, Molecular Docking and ADME Studies of Pretomanid Derivatives
A Belafriekh, A Laoud, L Elmchichi, M Bouachrine
Physical Chemistry Research 12 (3), 729-743 2024



QSAR Modeling and Molecular Docking Studies of 3, 5-Disubstituted Indole Derivatives as Pim1 Inhibitors for Combating Hematological Cancer
Y EL Allouche, H Zaitan, M Bouachrine, F Khalil
Physical Chemistry Research 12 (3), 631-645 2024



Exploring innovative strategies for identifying anti-breast cancer compounds by integrating 2D/3D-QSAR, molecular docking analyses, ADMET predictions, molecular dynamics
S El Rhabori, M Alaqarbeh, YEL Allouche, L Naanaai, A El Aissouq, ...
Journal of Molecular Structure, 139500 2024



Computational investigation of imidazo [2, 1-b] oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and
M Boutalaka, S El Bahi, M Alaqarbeh, MA El Alaouy, Y Koubi, KE Khatabi, ...
Journal of Biomolecular Structure and Dynamics 42 (10), 5268-5287 2024



3D-QSAR, molecular docking, ADMET, simulation dynamic, and retrosynthesis studies on new styrylquinolines derivatives against breast cancer
R EL-Mernissi, M Alaqarbeh, A Khaldan, M Kara, O Al kamaly, ...
Open Chemistry 22 (1), 20240041 2024



FMS-like tyrosine kinase 3 inhibitory potentials of some phytochemicals from anti-leukemic plants using computational chemical methodologies
HI Umar, Z Ashimiyu-Abdusalam, M Alaqarbeh, WE Magani, O Victor, ...
Open Chemistry 22 (1), 20240045 2024



Chemoinformatics Study of Benzodiazepine-1, 2, 3-triazole Derivatives Targeting Butyrylcholinesterase
Y El Allouche, M Alaqarbeh, A El Aissouq, S El Rhabori, Y Ech-Chahdi, ...
Journal of Fluorescence, 1-14 2024



Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer’s Disease Treatment
MAE Alaouy, M Alaqarbeh, SE Bahi, M Boutalaka, S Esslali, A Sbai, ...
Russian Journal of Bioorganic Chemistry 50 (3), 1016-1036 2024



Biochemical and toxicity evaluation of Retama sphaerocarpa extracts and in-silico investigation of phenolic compounds as potential inhibitors against HPV16 E6 oncoprotein
S Moujane, I Bouadid, A Bouymajane, FZ Younes, M Benlyas, ...
Fitoterapia 175, 105923 2024



Computational integration for antifungal 1, 2, 4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies
S Bouamrane, A Khaldan, M Alaqarbeh, A Sbai, MA Ajana, T Lakhlifi, ...
Chemical Physics Impact 8, 100502 2024



Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents
S El Rhabori, M Alaqarbeh, A El Aissouq, M Bouachrine, S Chtita, F Khalil
Chemical Physics Impact 8, 100455 2024



In-silico study of 4-aminoquinoline derivatives as antimalarial agents
M Ouabane, K Zaki, C Sekkate, A Sbai, M Bouachrine, T Lakhlifi
RHAZES: Green and Applied Chemistry 19, 42-58 2024



3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity
R El-Mernissi, A Khaldan, S Bouamrane, HM Rehman, M Alaqarbeh, ...
Journal of Biomolecular Structure and Dynamics 42 (7), 3682-3699 2024



Exploring Structure–Toxicity Relationships in Nitrobenzene and Derivatives: A Multifaceted Biochemical Investigation Using 3D–QSPR, HQSPR, Molecular Docking, and MD Simulation
M Ouabane, K Zaki, M Alaqarbeh, A Guendouzi, C Sekkate, A Sbai, ...
ChemistrySelect 9 (15), e202304588 2024



Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studies
A Khaldan, S Bouamrane, R El-mernissi, M Ouabane, M Alaqarbeh, ...
Arabian Journal of Chemistry 17 (3), 105656 2024

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
Citations: 382



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
Citations: 187



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
Citations: 167



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
Citations: 152



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
Citations: 148



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
Citations: 148



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
Citations: 148



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
Citations: 138



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
Citations: 136



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, 1-11 2016
Citations: 121



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
Citations: 114



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
Citations: 110



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
Citations: 110



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
Citations: 106



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
Citations: 105



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
Citations: 105



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
Citations: 91



Quantum chemical studies on the inhibiting effect of bipyrazoles on steel corrosion in HCl
K Laarej, M Bouachrine, S Radi, S Kertit, B Hammouti
Journal of Chemistry 7 (2), 419-424 2010
Citations: 88



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, ME Touhami, ...
Port Electrochim Acta 30 (6), 405-417 2012
Citations: 84



Electrochemical impedance spectroscopy weight loss and quantum chemical study of new pyridazine derivative as inhibitor corrosion of copper in nitric acid
A Zarrouk, H Zarrok, R Salghi, R Touir, B Hammouti, N Benchat, LL Afrine, ...
J Chem Pharm Res 5 (12), 1482-1491 2013
Citations: 81