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Number of items: 19.

Article

Zaki, H. and Belhassan, A. and Aouidate, A. and Lakhlifi, T. and Benlyas, M. and Bouachrine, M. (2019) Antibacterial study of 3-(2-amino-6-phenylpyrimidin-4-yl)-N-cyclopropyl-1-methyl-1H-indole-2-carboxamide derivatives: CoMFA, CoMSIA analyses, molecular docking and ADMET properties prediction. Journal of Molecular Structure, 1177. pp. 275-285.

Ghaleb, A. and Aouidate, A. and Bouachrine, M. and Lakhlifi, T. and Sbai, A. (2019) Discovery of novel 1,2,3-triazole analogues as anti-tuberculosis agents using 3D QSAR, molecular docking, and in silico ADMET screening. Analytical and Bioanalytical Chemistry Research, 6 (1). pp. 215-229.

Ghaleb, A. and Aouidate, A. and Bouachrine, M. and Lakhlifi, T. and Sbai, A. (2019) In silico exploration of aryl halides analogues as checkpoint kinase 1 inhibitors by using 3D QSAR, molecular docking study, and ADMET screening. Advanced Pharmaceutical Bulletin, 9 (1). pp. 84-92.

Belhassan, A. and Zaki, H. and Aouidate, A. and Benlyas, M. and Lakhlifi, T. and Bouachrine, M. (2019) Interactions between (4Z)-hex-4-en-1-ol and 2-methylbutyl 2-methylbutanoate with olfactory receptors using computational methods. Moroccan Journal of Chemistry, 7 (1). pp. 28-35.

Chtita, S. and Ghamali, M. and Ousaa, A. and Aouidate, A. and Belhassan, A. and Taourati, A.I. and Masand, V.H. and Bouachrine, M. and Lakhlifi, T. (2019) QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors. Heliyon, 5 (3).

Ghaleb, A. and Aouidate, A. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) 3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents. Journal of Structural Chemistry, 59 (7). pp. 1544-1554.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) 3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase. Computational Biology and Chemistry, 74. pp. 201-211.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET. Structural Chemistry, 29 (4). pp. 1031-1043.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors. Structural Chemistry, 29 (6). pp. 1609-1622.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) Molecular docking and 3D-QSAR studies on 7-azaindole derivatives as inhibitors of Trk A: A strategic design in novel anticancer agents. Letters in Drug Design and Discovery, 15 (11). pp. 1211-1223.

Ousaa, A. and Elidrissi, B. and Ghamali, M. and Chtita, S. and Aouidate, A. and Bouachrine, M. and Lakhlifi, T. (2018) QSAR Study of (5-Nitroheteroaryl-1,3,4-Thiadiazole-2-yl) Piperazinyl Derivatives to Predict New Similar Compounds as Antileishmanial Agents. Advances in Physical Chemistry, 2018.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors. Chemistry Central Journal, 12 (1).

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Ousaa, A. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2018) Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation. Chemical Papers, 72 (11). pp. 2833-2847.

Ghaleb, Adib and Aouidate, A. and Lakhlifi, T. and Bouachrine, M. and Maghat, H. and Sbai, A. (2018) Theoretical Study of Copper Acetonitrile Effects on Parr Functions Indices and Regioselectivity Using Density Functional Theory (DFT). Russian Journal of Physical Chemistry A, 92 (12). pp. 2464-2471.

Ghaleb, A. and Aouidate, A. and Ghamali, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2017) 3D-QSAR modeling and molecular docking studies on a series of 2,5 disubstituted 1,3,4-oxadiazoles. Journal of Molecular Structure, 1145. pp. 278-284.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2017) Combined 3D-QSAR and molecular docking study on 7,8-dialkyl-1,3-diaminopyrrolo-3,2-f Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors. Journal of Molecular Structure, 1139. pp. 319-327.

Aouidate, A. and Ghaleb, A. and Ghamali, M. and Chtita, S. and Choukrad, M. and Sbai, A. and Bouachrine, M. and Lakhlifi, T. (2017) QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: A rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity. Chemistry Central Journal, 11 (1). p. 1.

Ousaa, A. and Elidrissi, B. and Ghamali, M. and Chtita, S. and Aouidate, A. and Bouachrine, M. and Lakhlifi, T. (2017) QSTR analysis and combining DFT of the toxicity of heterogeneous phenols. Journal of Materials and Environmental Science, 8 (2). pp. 476-484.

Ghaleb, A. and Aouidate, A. and Sba, A. and Lakhlifi, T. and Maghat, H. and Bouachrine, M. (2017) Theoretical study of 1,3-dipolar cycloadditions regioselectivity of benzyl azide with glycosyl-o acetylene using density functional theory (DFT). Orbital, 9 (5). pp. 337-343.

This list was generated on Fri Nov 27 13:16:09 2020 CET.