Works matching AU Anouar, El Hassane
Results: 59
Synthesis, Spectroscopic Characterization, DFT, Molecular Docking, Catechol Oxidase Activity, and Anti-SARS-CoV-2 of Acylhydrazone Derivatives.
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- Polycyclic Aromatic Compounds, 2025, v. 45, n. 1, p. 80, doi. 10.1080/10406638.2024.2391486
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- Article
Synthesis, X-Ray, Hirshfeld Surface, DFT, and Molecular Docking Investigation of N-(5H-Dibenzo[a,d][7]Annulen-5-Ylidene)-2-Methylpropane-2-Sulfinamide.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 9, p. 5914, doi. 10.1080/10406638.2023.2270643
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- Article
Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1-H-Indazol-1-yl) Acetic Acid.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 8, p. 5380, doi. 10.1080/10406638.2023.2264453
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- Article
Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 4, p. 2598, doi. 10.1080/10406638.2023.2219804
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- Article
Novel 3-chloro-6-nitro-1H-indazole derivatives as promising antileishmanial candidates: synthesis, biological activity, and molecular modelling studies.
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- Journal of Enzyme Inhibition & Medicinal Chemistry, 2022, v. 37, n. 1, p. 151, doi. 10.1080/14756366.2021.1995380
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Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex.
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- PLoS ONE, 2020, v. 15, n. 4, p. 1, doi. 10.1371/journal.pone.0231147
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- Article
Triazoloquinazolines as a new class of potent α-glucosidase inhibitors: in vitro evaluation and docking study.
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- PLoS ONE, 2019, v. 14, n. 8, p. 1, doi. 10.1371/journal.pone.0220379
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- Article
Quantum Chemical Calculations and Statistical Analysis: Structural Cytotoxicity Relationships of some Synthesized 2-thiophen-naphtho(benzo)oxazinone Derivatives.
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- Cell Biochemistry & Biophysics, 2018, v. 76, n. 3, p. 377, doi. 10.1007/s12013-018-0848-3
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- Article
Synthesis, characterization, biological evaluation, and kinetic study of indole base sulfonamide derivatives as acetylcholinesterase inhibitors in search of potent anti-Alzheimer agent.
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- Journal of King Saud University - Science, 2021, v. 33, n. 3, p. N.PAG, doi. 10.1016/j.jksus.2021.101401
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- Article
H-atom acceptor capacity of free radicals used in antioxidant measurements.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 6, p. 1131, doi. 10.1002/qua.22555
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- Article
Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
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- Applied Biochemistry & Biotechnology, 2021, v. 193, n. 11, p. 3602, doi. 10.1007/s12010-021-03615-8
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- Article
A new synthetic route for the preparation of 2,2′,5′‐trimethyl‐7‐oxo‐4,7‐dihydro‐[6,7′‐bipyrazolo[1,5‐a]pyrimidine]‐3,3′‐dicarbonitrile, structural elucidation, Hirshfeld surface analysis, energy framework, density functional theory and molecular docking investigations
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- Journal of the Chinese Chemical Society, 2022, v. 69, n. 4, p. 717, doi. 10.1002/jccs.202100509
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- Article
Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 11, p. 951, doi. 10.1007/s10822-013-9692-0
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Synthesis, Antimicrobial Studies, and Molecular Docking Simulation of Novel Pyran, Pyrazole, and Pyranopyrazole Derivatives.
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- Journal of Chemistry, 2023, p. 1, doi. 10.1155/2023/6623445
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- Article
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-methyl-4-oxo pyrimido[1,2-a]benzimidazole derivatives.
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- Journal of Molecular Modeling, 2018, v. 24, n. 7, p. 1, doi. 10.1007/s00894-018-3705-9
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- Article
Synthesis of new Cu (II) and Zn (II) complexes derived from isatin‐3‐thiosemicarbazone: X‐ray, anticancer activity, molecular docking, ADMET study, and quantum chemical calculations.
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- Applied Organometallic Chemistry, 2024, v. 38, n. 1, p. 1, doi. 10.1002/aoc.7306
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- Article
Electrochemical, molecular dynamics, density functional theory, and corrosion inhibition studies of some chromeno-oxadithiin and chromeno disulfide derivatives for mild steel in 3.5% NaCl.
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- Journal of Solid State Electrochemistry, 2023, v. 27, n. 12, p. 3539, doi. 10.1007/s10008-023-05614-7
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- Article
Cytotoxicity, alpha-glucosidase inhibition and molecular docking studies of hydroxamic acid chromium(III) complexes.
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- Journal of Biological Inorganic Chemistry (JBIC), 2020, v. 25, n. 2, p. 239, doi. 10.1007/s00775-020-01755-6
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- Article
Synthesis, biological activity and molecular docking of new tricyclic series as α-glucosidase inhibitors.
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- BMC Chemistry, 2019, v. 13, n. 1, p. N.PAG, doi. 10.1186/s13065-019-0560-4
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- Article
Indole bearing thiadiazole analogs: synthesis, β-glucuronidase inhibition and molecular docking study.
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- BMC Chemistry, 2019, v. 13, n. 1, p. 1, doi. 10.1186/s13065-019-0522-x
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- Article
Computational, Kinetics, and Corrosion Protection Aspects of Electrodeposited Poly(Salicylic Acid) Coatings as a Corrosion Inhibitor for Mild Steel.
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- Journal of Chemistry, 2022, p. 1, doi. 10.1155/2022/9633988
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- Article
Nanoarchitectonics and Molecular Docking of 4-(Dimethylamino)Pyridin-1-Ium 2-3 Methyl-4-Oxo-Pyri-Do[1,2- a ]Pyrimidine-3-Carboxylate.
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- Crystals (2073-4352), 2023, v. 13, n. 9, p. 1333, doi. 10.3390/cryst13091333
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- Article
EIS and DFT Investigations on Corrosion Inhibition of Imines containing Mono- and Diisatin Moieties.
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- Pertanika Journal of Science & Technology, 2017, v. 25, n. S, p. 297
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- Article
Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin.
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- Journal of Biomolecular Structure & Dynamics, 2025, v. 43, n. 6, p. 2719, doi. 10.1080/07391102.2023.2294372
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- Article
Chalcone-based imidazo[2,1-b]thiazole derivatives: synthesis, crystal structure, potent anticancer activity, and computational studies.
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- Journal of Biomolecular Structure & Dynamics, 2025, v. 43, n. 1, p. 261, doi. 10.1080/07391102.2023.2280756
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- Article
A Quantum Chemical and Statistical Study of Cytotoxic Activity of Compounds Isolated from Curcuma zedoaria.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 5, p. 9450, doi. 10.3390/ijms16059450
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Spectrofluorometric and Molecular Docking Studies on the Binding of Curcumenol and Curcumenone to Human Serum Albumin.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 3, p. 5180, doi. 10.3390/ijms16035180
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- Article
Synthesis of New Pyrazolo[3,4- d ]pyrimidine Derivatives: NMR Spectroscopic Characterization, X-Ray, Hirshfeld Surface Analysis, DFT, Molecular Docking, and Antiproliferative Activity Investigations.
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- Molecules, 2024, v. 29, n. 21, p. 5020, doi. 10.3390/molecules29215020
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- Article
In Vitro and Molecular Docking Evaluation of the Anticholinesterase and Antidiabetic Effects of Compounds from Terminalia macroptera Guill. & Perr. (Combretaceae).
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- Molecules, 2024, v. 29, n. 11, p. 2456, doi. 10.3390/molecules29112456
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- Article
In Vitro and In Silico Evaluation of Anticholinesterase and Antidiabetic Effects of Furanolabdanes and Other Constituents from Graptophyllum pictum (Linn.) Griffith.
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- Molecules, 2023, v. 28, n. 12, p. 4802, doi. 10.3390/molecules28124802
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- Article
Synthesis, X-ray Crystal Structure, Anticancer, Hirshfeld Surface Analysis, DFT, TD-DFT, ADMET, and Molecular Docking of 3-Phenyl-1,2,4-triazolo[3,4-h]-13,4-thiaza-11-crown-4.
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- Molecules, 2023, v. 28, n. 7, p. 3166, doi. 10.3390/molecules28073166
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- Article
Synthesis of Benzimidazole–Based Analogs as Anti Alzheimer's Disease Compounds and Their Molecular Docking Studies.
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- Molecules, 2020, v. 25, n. 20, p. 4828, doi. 10.3390/molecules25204828
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- Article
An Improved Synthesis of Key Intermediate to the Formation of Selected Indolin-2-Ones Derivatives Incorporating Ultrasound and Deep Eutectic Solvent (DES) Blend of Techniques, for Some Biological Activities and Molecular Docking Studies †.
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- Molecules, 2020, v. 25, n. 5, p. 1118, doi. 10.3390/molecules25051118
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- Article
Synthesis of Thymidine Phosphorylase Inhibitor Based on Quinoxaline Derivatives and Their Molecular Docking Study.
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- Molecules, 2019, v. 24, n. 6, p. 1002, doi. 10.3390/molecules24061002
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- Article
Synthesis, Molecular Docking and β-Glucuronidase Inhibitory Potential of Indole Base Oxadiazole Derivatives.
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- Molecules, 2019, v. 24, n. 5, p. 963, doi. 10.3390/molecules24050963
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- Article
Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives.
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- Molecules, 2017, v. 22, n. 7, p. 1094, doi. 10.3390/molecules22071094
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- Article
Structure and Absolute Configuration of 20β-Hydroxyprednisolone, a Biotransformed Product of Predinisolone by the Marine Endophytic Fungus Penicilium lapidosum.
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- Molecules, 2014, v. 19, n. 9, p. 13775, doi. 10.3390/molecules190913775
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- Article
Synthesis, Crystal Structure, DFT Studies and Evaluation of the Antioxidant Activity of 3,4-Dimethoxybenzenamine Schiff Bases.
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- Molecules, 2014, v. 19, n. 6, p. 8414, doi. 10.3390/molecules19068414
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- Article
Antioxidant Activity of Hispidin Oligomers from Medicinal Fungi: A DFT Study.
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- Molecules, 2014, v. 19, n. 3, p. 3489, doi. 10.3390/molecules19033489
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- Article
Synthesis, X-Ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking, and DFT Calculations of a New Series of 3-Hydrazono and 3-Phenylhydrazono Isatin Derivatives.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 10, p. 8989, doi. 10.1080/10406638.2022.2157454
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- Article
Synthesis, α-Glucosidase and β-Galactosidase Inhibitory Potentials and Molecular Docking of Some Novel Benzofuran-Pyridazine Derivatives.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 8482, doi. 10.1080/10406638.2022.2149561
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In Vitro and in Vivo Antidiabetics Study of New Oxadiazole Derivatives Along with Molecular Docking Study.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 8, p. 6911, doi. 10.1080/10406638.2022.2127799
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- Article
Synthesis, Characterization, Antibacterial Evaluation, and Molecular Docking of New Quinazolinone-Based Derivatives.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1879, doi. 10.1080/10406638.2022.2041053
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- Article
Synthesis, Spectroscopic Characterization, DFT, Molecular Docking and Antidiabetic Activity of N-Isonicotinoyl Arylaldehyde Hydrazones.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1469, doi. 10.1080/10406638.2022.2028870
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- Article
Synthesis of Oxadiazole-Based-Thiourea, Evaluation of Their β-Glucuronidase Inhibitory Potential, and Molecular Docking Study.
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- Polycyclic Aromatic Compounds, 2023, v. 43, n. 2, p. 1407, doi. 10.1080/10406638.2022.2027787
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- Article
HR-LCMS-Based Metabolite Profiling, Antioxidant, and Anticancer Properties of Teucrium polium L. Methanolic Extract: Computational and In Vitro Study.
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- Antioxidants, 2020, v. 9, n. 11, p. 1089, doi. 10.3390/antiox9111089
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Phytochemical profiling, antimicrobial, antibiofilm, insecticidal, and anti-leishmanial properties of aqueous extract from Juglans regia L. root bark: In vitro and in silico approaches.
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- International Journal of Food Properties, 2023, v. 26, n. 1, p. 1079, doi. 10.1080/10942912.2023.2200561
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Evaluation of the inhibition effect of novel cyclohepta[b]pyridine derivatives for copper corrosion and theoretical calculations.
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- Journal of Physical Organic Chemistry, 2022, v. 35, n. 3, p. 1, doi. 10.1002/poc.4297
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- Article
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.
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- Journal of Biomolecular Structure & Dynamics, 2024, v. 42, n. 22, p. 12195, doi. 10.1080/07391102.2023.2268187
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Synthesis, X-ray crystal structure, Hirshfeld surface analysis and computational investigation into the potential inhibitory action of novel 6-(p-tolyl)-2-((p-tolyl)thio)methyl-7H-[1.2.4]triazolo[5,1-b][1,3,4]thiadiazine inhibits the main protease of COVID-19
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 23, p. 14275, doi. 10.1080/07391102.2023.2180432
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