UV/Visible spectra of natural polyphenols: A time-dependent density functional theory study J Gierschner, JL Duroux, P Trouillas Food Chemistry 131 (1), 79-89, 2012 | 254 | 2012 |
XPS and DFT investigations of corrosion inhibition of substituted benzylidene Schiff bases on mild steel in hydrochloric acid NZN Hashim, K Kassim, HM Zaki, AI Alharthi, Z Embong Applied Surface Science 476, 861-877, 2019 | 176 | 2019 |
Anti-corrosion performance of 8-hydroxyquinoline derivatives for mild steel in acidic medium: Gravimetric, electrochemical, DFT and molecular dynamics simulation investigations D Douche, H Elmsellem, L Guo, B Hafez, B Tüzün, A El Louzi, K Bougrin, ... Journal of molecular liquids 308, 113042, 2020 | 148 | 2020 |
Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action EH Anouar, S Raweh, I Bayach, M Taha, MS Baharudin, F Di Meo, ... Journal of computer-aided molecular design 27, 951-964, 2013 | 103 | 2013 |
Free radical scavenging properties of guaiacol oligomers: A combined experimental and quantum study of the guaiacyl-moiety role E Anouar, CA Calliste, P Kosinova, F Di Meo, JL Duroux, Y Champavier, ... The Journal of Physical Chemistry A 113 (50), 13881-13891, 2009 | 96 | 2009 |
Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies M Taha, NH Ismail, A Khan, SAA Shah, A Anwar, SA Halim, MQ Fatmi, ... Bioorganic & Medicinal Chemistry Letters 25 (16), 3285-3289, 2015 | 83 | 2015 |
New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach E Anouar, P Košinová, D Kozlowski, R Mokrini, JL Duroux, P Trouillas Physical chemistry chemical physics 11 (35), 7659-7668, 2009 | 83 | 2009 |
DFT study of the reaction of quercetin with· O2-and· OH radicals Z Dhaouadi, M Nsangou, N Garrab, EH Anouar, K Marakchi, S Lahmar Journal of Molecular Structure: THEOCHEM 904 (1-3), 35-42, 2009 | 79 | 2009 |
Molecular docking and anticonvulsant activity of newly synthesized quinazoline derivatives HA Abuelizz, R El Dib, M Marzouk, EH Anouar, YA Maklad, HN Attia, ... Molecules 22 (7), 1094, 2017 | 69 | 2017 |
Synthesis, crystal structure, DFT studies and evaluation of the antioxidant activity of 3, 4-dimethoxybenzenamine Schiff bases AN Aziz, M Taha, NH Ismail, EH Anouar, S Yousuf, W Jamil, K Awang, ... Molecules 19 (6), 8414-8433, 2014 | 60 | 2014 |
Electrochemical, DFT and MD simulation of newly synthesized triazolotriazepine derivatives as corrosion inhibitors for carbon steel in 1 M HCl Y El Bakri, L Guo, EM Essassi Journal of Molecular Liquids 274, 759-769, 2019 | 59 | 2019 |
Antioxidant activity of hispidin oligomers from medicinal fungi: A DFT study EH Anouar, SA Ali Shah, N Binti Hassan, N El Moussaoui, R Ahmad, ... Molecules 19 (3), 3489-3507, 2014 | 57 | 2014 |
HR-LCMS-Based Metabolite Profiling, Antioxidant, and Anticancer Properties of Teucrium polium L. Methanolic Extract: Computational and In Vitro Study E Noumi, M Snoussi, EH Anouar, M Alreshidi, VN Veettil, S Elkahoui, ... Antioxidants 9 (11), 1089, 2020 | 53 | 2020 |
UV/Visible spectra of a series of natural and synthesised anthraquinones: experimental and quantum chemical approaches EH Anouar, CP Osman, JFF Weber, NH Ismail SpringerPlus 3, 1-12, 2014 | 49 | 2014 |
Novel fused pyridine derivatives containing pyrimidine moiety as prospective tyrosyl-tRNA synthetase inhibitors: Design, synthesis, pharmacokinetics and molecular docking studies IMM Othman, MAM Gad-Elkareem, M Snoussi, K Aouadi, A Kadri Journal of Molecular Structure 1219, 128651, 2020 | 48 | 2020 |
Synthesis and molecular modelling studies of phenyl linked oxadiazole-phenylhydrazone hybrids as potent antileishmanial agents M Taha, NH Ismail, S Imran, M Selvaraj, W Jamil, M Ali, SM Kashif, ... European Journal of Medicinal Chemistry 126, 1021-1033, 2017 | 44 | 2017 |
Synthesis, crystal structure, DFT, α-glucosidase and α-amylase inhibition and molecular docking studies of (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide K Karrouchi, S Fettach, B Tüzün, S Radi, AI Alharthi, HA Ghabbour, ... Journal of Molecular Structure 1245, 131067, 2021 | 42 | 2021 |
Design, synthesis ADMET and molecular docking of new imidazo [4, 5-b] pyridine-5-thione derivatives as potential tyrosyl-tRNA synthetase inhibitors IMM Othman, MAM Gad-Elkareem, K Aouadi, A Kadri, M Snoussi Bioorganic Chemistry 102, 104105, 2020 | 42 | 2020 |
Potential antidiabetic activity and molecular docking studies of novel synthesized 3.6-dimethyl-5-oxo-pyrido [3, 4-f][1, 2, 4] triazepino [2, 3-a] benzimidazole and 10-amino-2 … Y El Bakri, EH Anouar, I Marmouzi, K Sayah, Y Ramli, M El Abbes Faouzi, ... Journal of molecular modeling 24, 1-10, 2018 | 39 | 2018 |
Synthesis, NMR characterization, DFT and anti-corrosion on carbon steel in 1M HCl of two novel 1, 5-benzodiazepines J Sebhaoui, Y El Bakri, Y El Aoufir, A Guenbour, AA Nasser, EM Essassi Journal of Molecular Structure 1182, 123-130, 2019 | 38 | 2019 |