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Number of items: 15.

Article

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.

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.

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.

Dirhoussi, H. and Sbai, A. (2007) A Computational theoretical study of the Diels-Alder reaction between β-ionone and maleic anhydride. Influence of Lewis acid catalyst, and inclusion of solvent effects. Internet Electronic Journal of Molecular Design, 6 (2). pp. 36-46.

Izquierdo, S. and Rúa, F. and Sbai, A. and Parella, T. and Álvarez-Larena, Á. and Branchadell, V. and Ortuño, R.M. (2005) (+)- and (-)-2-aminocyclobutane-1-carboxylic acids and their incorporation into highly rigid β-peptides: Stereoselective synthesis and a structural study. Journal of Organic Chemistry, 70 (20). pp. 7963-7971.

This list was generated on Sun Jan 17 14:26:18 2021 CET.