| Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors I Daoud, N Melkemi, T Salah, S Ghalem Computational biology and Chemistry 74, 304-326, 2018 | 79 | 2018 |
| Structure-property relationships and quantitative structure-activity relationship modeling of detoxication properties of some 1, 2-dithiole-3-thione derivatives N Melkemi, S Belaidi Journal of Computational and Theoretical Nanoscience 11 (3), 801-806, 2014 | 40 | 2014 |
| Molecular geometry, electronic properties, MPO methods and structure activity/property relationship studies of 1, 3, 4-thiadiazole derivatives by theoretical calculations T Salah, S Belaidi, N Melkemi, N Tchouar Reviews in Theoretical Science 3 (4), 355-364, 2015 | 27 | 2015 |
| Structure activity relationship and quantitative structure-activity relationships modeling of antitrypanosomal activities of alkyldiamine cryptolepine derivatives S Belaidi, T Salah, N Melkemi, L Sinha, O Prasad Journal of Computational and Theoretical Nanoscience 12 (9), 2421-2427, 2015 | 24 | 2015 |
| Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics … I Daoud, F Mesli, N Melkemi, S Ghalem, T Salah Journal of Biomolecular Structure and Dynamics 40 (23), 12574-12591, 2022 | 13 | 2022 |
| In silico investigation by conceptual DFT and molecular docking of antitrypanosomal compounds for understanding cruzain inhibition T Salah, S Belaidi, N Melkemi, I Daoud, S Boughdiri Journal of Theoretical and Computational Chemistry 15 (03), 1650021, 2016 | 13 | 2016 |
| K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents A Belkadi, S Kenouche, N Melkemi, I Daoud, R Djebaili Structural Chemistry 32 (6), 2235-2249, 2021 | 12 | 2021 |
| Structure Activity Relationship and Quantitative Structure-Activity Relationships Modeling of Cyto-Toxicity of Phenothiazine Derivatives Z Almi, S Belaidi, N Melkemi, S Boughdiri, L Belkhiri Quantum Matter 5 (1), 124-129, 2016 | 12 | 2016 |
| Molecular geometry and structure-property relationships for 1, 2-dithiole-3-thione derivatives S Belaidi, N Melkemi, D Bouzidi Int. J. Chem. Res 4, 134-139, 2012 | 12 | 2012 |
| DFT-based reactivity and combined QSAR, molecular docking of 1, 2, 4, 5-Tetrazine derivatives as inhibitors of Pim-1 kinase H Hazhazi, N Melkemi, T Salah, M Bouachrine Heliyon 5 (9), 2019 | 11 | 2019 |
| Chemical reactivity, drug-likeness and structure activity/property relationship studies of 2, 1, 3-benzoxadiazole derivatives as anti-cancer activity I Almi, S Belaidi, N Melkemi, D Bouzidi Journal of Bionanoscience 12 (1), 49-57, 2018 | 11 | 2018 |
| High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis S Kenouche, A Belkadi, R Djebaili, N Melkemi Journal of Molecular Graphics and Modelling 104, 107828, 2021 | 7 | 2021 |
| Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations … R Djebaili, S Kenouche, I Daoud, N Melkemi, A Belkadi, F Mesli Structural Chemistry 34 (3), 791-823, 2023 | 6 | 2023 |
| Molecular docking/dynamic simulations, MEP, ADME-TOX-based analysis of xanthone derivatives as CHK1 inhibitors A Belkadi, S Kenouche, N Melkemi, I Daoud, R Djebaili Structural Chemistry 33 (3), 833-858, 2022 | 6 | 2022 |
| Predictive QSAR model and clustering analysis of some Benzothiazole derivatives as cytotoxic inhibitors S Kenouch, D Harkati, M Ghamri, AR Chikhaoui, N Melkemi SDRP Journal of Computational Chemistry & Molecular Modelling 2 (3), 1-8, 2018 | 5 | 2018 |
| Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with … M Mettai, I Daoud, F Mesli, S Kenouche, N Melkemi, R Kherachi, ... In Silico Pharmacology 11 (1), 3, 2023 | 4 | 2023 |
| QSAR study, molecular docking/dynamics simulations and ADME prediction of 2-phenyl-1H-indole derivatives as potential breast cancer inhibitors K Saghiri, I Daoud, N Melkemi, F Mesli Biointerface Res Appl Chem 13 (2), 154, 2022 | 4 | 2022 |
| Conformational analysis and physical-chemistry property relationship for 22-membered macrolides S Belaidi, N Melkemi Asian Journal of Chemistry 25 (8), 4527, 2013 | 3 | 2013 |
| Molecular docking/dynamics simulations, MEP analysis, and pharmacokinetics prediction of some withangulatin A derivatives as allosteric glutaminase C inhibitors in breast cancer K Saghiri, I Daoud, N Melkemi, F Mesli Chemical Data Collections 46, 101044, 2023 | 2 | 2023 |
| A DFT-based QSARs of some 1, 2-Dithiole-3-thione derivatives as inducers of quinine reductase N Melkemi, S Belaidi, T Salah, I Daoud RESEARCH JOURNAL OF PHARMACEUTICAL BIOLOGICAL AND CHEMICAL SCIENCES 6 (2 …, 2015 | 2 | 2015 |
DAOUD IsmailPhD-Researcher in molecular modellingAdresse e-mail validée de univ-biskra.dz
