| Molecular docking, molecular dynamics simulations and reactivity, studies on approved drugs library targeting ACE2 and SARS-CoV-2 binding with ACE2 H Khelfaoui, D Harkati, BA Saleh Journal of Biomolecular Structure and Dynamics 39 (18), 7246-7262, 2021 | 70 | 2021 |
| QSAR modeling, docking, ADME and reactivity of indazole derivatives as antagonizes of estrogen receptor alpha (ER-α) positive in breast cancer A Zekri, D Harkati, S Kenouche, BA Saleh Journal of Molecular Structure 1217, 128442, 2020 | 22 | 2020 |
| Investigations on molecular structure, electronic properties, NLO properties and comparison of drug-likeness of triazolothiadiazole derivatives by quantum methods and QSAR analysis A Kerassa, S Belaidi, D Harkati, T Lanez, O Prasad, L Sinha Reviews in Theoretical Science 4 (1), 85-96, 2016 | 16 | 2016 |
| Molecular structure, substituent effect and physical-chemistry property relationship of indole derivatives D Harkati, S Belaidi, A Kerassa, N Gherraf Quantum Matter 5 (1), 36-44, 2016 | 15 | 2016 |
| Investigations on Molecular Structure, Electronic Properties, NLO Properties, HOMO–LUMO Analysis and Comparison of Drug-likeness of Triazolothiadiazole Derivatives by Quantum … O Prasad Reviews in Theoretical Science 3, 1-10, 2015 | 12 | 2015 |
| Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling M Ghamri, D Harkati, S Belaidi, S Boudergua, RB Said, R Linguerri, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 242, 118724, 2020 | 11 | 2020 |
| In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3 A Faris, H Hadni, BA Saleh, H Khelfaoui, D Harkati, H Ait Ahsaine, ... Journal of Biomolecular Structure and Dynamics, 1-19, 2023 | 8 | 2023 |
| Qualitative QSAR Studies, Electronic Structure, Drug Likeness of 1, 2-Dithiole-3-One Derivatives Y Rouahna, S Belaidi, D Harkati, A Kerassa Journal of Computational and Theoretical Nanoscience 12 (11), 4233-4241, 2015 | 7 | 2015 |
| Theoretical studies of molecular structure, vibrational spectra and substitution effect on the electronic structure of indole S Belaidi, D Harkati, S Boughdiri, L Belkhiri Research Journal of Pharmaceutical, Biological and Chemical Sciences (RJPBCS …, 2013 | 7 | 2013 |
| In silico evaluation of molecular structure, vibrational spectra and substitution effect of hydantoin S Belaidi, L Bouchlaleg, D Harkati, T Salah RESEARCH JOURNAL OF PHARMACEUTICAL BIOLOGICAL AND CHEMICAL SCIENCES 6 (2 …, 2015 | 6 | 2015 |
| Conformational analysis in 18-membered macrolactones based on molecular modeling S Belaidi, D Harkati International Scholarly Research Notices 2011, 2011 | 6 | 2011 |
| 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 |
| Etude de la structure et des propriétés physico-chimiques associées, de quelques molécules bioactives à intérêt pharmaceutique D Harkati Université Mohamed Khider-Biskra, 2015 | 5 | 2015 |
| In Silico Pesticide Discovery for New Anti-Tobacco Mosaic Virus Agents: Reactivity, Molecular Docking, and Molecular Dynamics Simulations HA Abdulhassan, BA Saleh, D Harkati, H Khelfaoui, NL Hewitt, GA El-Hiti Applied Sciences 12 (6), 2818, 2022 | 3 | 2022 |
| A theoretical investigation on the structures, global and local reactivity descriptors of oxazolidine-2, 4-dione, imidazolidine-2, 4-dione and thiazolidine-2, 4-dione D Harkati, S Belaidi, BA Saleh Quantum Matter 6, 1-5, 2017 | 3 | 2017 |
| A computational study of potent series of selective estrogen receptor degraders for breast cancer therapy A Zekri, D Harkati, S Kenouche, BA Saleh, R Alnajjar Journal of Biomolecular Structure and Dynamics 41 (20), 11078-11100, 2023 | 2 | 2023 |
| In-Silico Evaluation, Chemical Reactivity, and Covalent Docking Study of Various Quinazolines and Pyridopyrimidines as Inhibitors for the Epidermal Growth Factor … H Khelfaoui, D Harkati, BA Saleh, NL Hewitt, R Alnajjar, GA El-Hiti Polycyclic Aromatic Compounds, 1-26, 2023 | 1 | 2023 |
| Étude de la structure et des propriétés SAR/QSAR de quelques molécules à visée thérapeutique M GHAMRI Université de mohamed kheider biskra, 2022 | 1 | 2022 |
| In silico investigation applied in physical, chemical properties and vibrational analysis of 1.3. 4-thiadiazole derivatives N Aoumeur, N Tchouar, S Belaidi, D Harkati, H Belaidi, A Rouane Rev. Roum. Chim 64 (11), 935-948, 2019 | 1 | 2019 |
| Molecular Modeling of Reactivity and Vibrational Spectrum Raman of Thalidomide Enantiomers R and S Using Density Functional Theory and Hartree-Fock Methods K Dermeche12, N Tchouar, D Harkati, S Belaidi, K Bentayeb, A Rouane HOMO (eV) 9094 (9067), 7567, 2017 | 1 | 2017 |
Basil A. SalehProfessor of Organic Chemistry, University of BasrahAdresse e-mail validée de uobasrah.edu.iq
