E. Anouar

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Synthesis, X-ray, spectroscopic characterization, DFT and antioxidant activity of 1,2,4-triazolo[1,5-a]pyrimidine derivatives

J. Mague, E. Essassi, S. Lahmidi, 2019, Journal of Molecular Structure.

Synthesis, spectroscopic characterization, DFT and antibacterial studies of newly synthesized cobalt(II, III), nickel(II) and copper(II) complexes with salicylaldehyde N(4)-antipyrinylthiosemicarbazone

Amr M Hilal Abdou, E. Anouar, Ayman K. El-Sawaf, 2018, Inorganica Chimica Acta.

Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, and DFT calculations of 1,4-dimethyl-2-oxo-pyrimido[1,2-a]benzimidazole hydrate

J. Mague, E. Essassi, E. Anouar, 2018 .

DFT analysis and bioactivity of 2-((E)-(4-methoxybenzylimino)methyl)phenol and its Ni(II) and Pd(II) complexes

K. Ramasamy, H. Bahron, A. Alharthi, 2017 .

Synthesis, X-ray, NMR, FT-IR, UV/vis, DFT and TD-DFT studies of N-(4-chlorobutanoyl)-N'-(2-, 3- and 4-methylphenyl)thiourea derivatives.

E. Anouar, B. Yamin, Hamza M. Abosadiya, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Antioxidant activity, NMR, X-ray, ECD and UV/vis spectra of (+)-terrein: Experimental and theoretical approaches

E. Anouar, Zuhra Bashir Khalifa Al Trabolsy, Nur Shahidatul Shida Zakaria, 2014 .

Structure and Absolute Configuration of 20β-Hydroxyprednisolone, a Biotransformed Product of Predinisolone by the Marine Endophytic Fungus Penicilium lapidosum

S. Shah, E. Anouar, Zuhra Bashir Khalifa Al Trabolsy, 2014, Molecules.

Electronic and Optical Properties of Reactive Orange 16 azo dye

E. Anouar, K. E. Kacemi, A. E. Hourch, 2014 .

DFT study of the reaction of quercetin with ·O2- and ·OH radicals

S. Lahmar, M. Nsangou, Z. Dhaouadi, 2009 .

HR-LCMS-Based Metabolite Profiling, Antioxidant, and Anticancer Properties of Teucrium polium L. Methanolic Extract: Computational and In Vitro Study

M. Snoussi, E. Noumi, V. De Feo, 2020, Antioxidants.

Evaluation of 2-indolcarbohydrazones as potent α-glucosidase inhibitors, in silico studies and DFT based stereochemical predictions.

N. Ismail, M. Choudhary, A. Wadood, 2015, Bioorganic chemistry.

Synthesis, Crystal Structure, DFT Studies and Evaluation of the Antioxidant Activity of 3,4-Dimethoxybenzenamine Schiff Bases

A. N. Aziz, N. Ismail, N. Ahmat, 2014, Molecules.

Triazoloquinazolines as a new class of potent α-glucosidase inhibitors: in vitro evaluation and docking study

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2019, PloS one.

Characterization, Biological Evaluation and Molecular Docking of a Novel Synthesised Quinazolinone-based Derivative

Mohammed H. Geesi, Y. Riadi, E. Anouar, 2022, Journal of Molecular Structure.

Synthesis, structural characterization, antioxidant and antidiabetic activities, DFT calculation, and molecular docking of novel substituted phenolic and heterocyclic compounds

J. Mague, E. Essassi, S. Lahmidi, 2022, Journal of biomolecular structure & dynamics.

The Inhibition Tendencies of Novel Hydrazide Derivatives on the Corrosion Behavior of Mild Steel in Hydrochloric Acid Solution

M. E. Moustapha, E. Anouar, Zeinab R. Farag, 2021, Journal of Materials Research and Technology.

Growth, single crystal investigation, hirshfeld surface analysis, DFT studies, molecular docking, physico-chemical characterization and, in vitro, antioxidant activity of a novel hybrid complex

A. Valkonen, E. Anouar, Y. E. Bakri, 2021 .

Synthesis, structural elucidation, and antioxidant activity of new phenolic derivatives containing piperidine moiety: Experimental and theoretical investigations

J. Mague, H. Benzeid, A. Alharthi, 2021 .

Synthesis, spectroscopic characterizations, DFT, molecular docking and molecular dynamics simulations of a novel 2-methyl-3H-benzimidazolo[1,2-b][1,2,4]triazepin-4(5H)-one

K. Subramani, E. Essassi, E. Anouar, 2020 .

Synthesis, Characterization and Corrosion Inhibition of decyl-2-[(5-methylisoxazol-2-yl)methyl]benzimidazole: Experimental and DFT Approaches

E. Essassi, E. Anouar, Y. E. Bakri, 2020 .

Experimental and theoretical studies of azomethines derived from benzylamine as corrosion inhibitors of mild steel in 1 M HCl

K. Kassim, N. Hashim, Zaidi Embong, 2020 .

XPS and DFT investigations of corrosion inhibition of substituted benzylidene Schiff bases on mild steel in hydrochloric acid

K. Kassim, A. Alharthi, N. Hashim, 2019, Applied Surface Science.

Synthesis, NMR characterization, DFT and anti-corrosion on carbon steel in 1M HCl of two novel 1,5-benzodiazepines

E. Anouar, A. Guenbour, Y. El Bakri, 2019, Journal of Molecular Structure.

Absolute Configuration of Alkaloids from Uncaria longiflora through Experimental and Computational Approaches.

G. Cordell, M. Langat, K. Awang, 2019, Journal of natural products.

Synthesis, crystal structure, spectroscopic characterization, hirshfeld surface analysis, DFT calculations and antibacterial activity of ethyl 2-(4-vinylbenzyl)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-(4-vinylphenyl)propanoate

E. Essassi, J. Jasinski, S. Lahmidi, 2019, Journal of Molecular Structure.

Synthesis, characterization, crystal structures and DFT studies of some new 1,2,4-triazole and triazolidin derivatives

E. Anouar, B. Yamin, Hamza M. Abosadiya, 2018 .

A novel l-leucine modified Sol-Gel-Carbon electrode for simultaneous electrochemical detection of homovanillic acid, dopamine and uric acid in neuroblastoma diagnosis.

D. Bouchta, Aisha M Attar, E. Anouar, 2017, Materials science & engineering. C, Materials for biological applications.

Density functional theory study of Reactive Violet 5R azo dye

E. Anouar, K. E. Kacemi, A. E. Hourch, 2014 .

Time-dependent density functional theory study of UV/vis spectra of natural styrylpyrones.

E. Anouar, J. Weber, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

H-atom acceptor capacity of free radicals used in antioxidant measurements

P. Trouillas, J. Duroux, P. Kosinová, 2011 .

DFT study and radical scavenging activity of 2-phenoxypyridotriazolo pyrimidines by DPPH, ABTS, FRAP and reducing power capacity

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2020, Chemical Papers.

Screening and evaluation of antioxidant activity of some 1,2,4-triazolo[1,5-a]quinazoline derivatives.

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2018, Future medicinal chemistry.

Synthesis of novel derivatives of 4-methylbenzimidazole and evaluation of their biological activities.

N. Ismail, F. Rahim, K. Khan, 2014, European journal of medicinal chemistry.

Synthesis of Oxadiazole-Based-Thiourea, Evaluation of Their β-Glucuronidase Inhibitory Potential, and Molecular Docking Study

N. Uddin, F. Rahim, N. B. Almandil, 2022, Polycyclic Aromatic Compounds.

Indole bearing thiadiazole analogs: synthesis, β-glucuronidase inhibition and molecular docking study

F. Rahim, N. B. Almandil, A. Mosaddik, 2019, BMC Chemistry.

Synthesis, crystal structure, DFT, molecular dynamics simulation and evaluation of the anticorrosion performance of a new pyrazolotriazole derivative

J. Mague, E. Essassi, E. Anouar, 2019, Journal of Molecular Structure.

Synthesis, Antimicrobial Evaluation, Crystal Structure, Hirschfeld Surface Analysis and Docking Studies of 4-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)-acetylamino]-benzenesulfonic acid

A. Kaiba, Mohammed H. Geesi, Y. Riadi, 2022, Journal of Molecular Structure.

Spectrofluorometric and Molecular Docking Studies on the Binding of Curcumenol and Curcumenone to Human Serum Albumin

K. Awang, S. Mohamad, Jamil A. Shilpi, 2015, International journal of molecular sciences.

Synthesis, characterization, biological evaluation and molecular docking of a new quinazolinone-based derivative as a potent dual inhibitor for VEGFR-2 and EGFR tyrosine kinases

Mubarak A. Alamri, O. Ouerghi, Mohammed H. Geesi, 2021, Journal of biomolecular structure & dynamics.

Synthesis, Characterization, Biocomputational Modeling and Antibacterial Study of Novel Pyran Based on 8-Hydroxyquinoline

B. Lakhrissi, P. Dohare, M. Rbaa, 2020, Arabian Journal for Science and Engineering.

Synthesis, X-Ray, spectroscopic characterization (FT-IR, NMR, UV–Vis) and quantum chemical calculations of some substituted benzoylthiourea derivatives

E. Anouar, B. Yamin, Hamza M. Abosadiya, 2019, Journal of Molecular Structure.

Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2017, Molecules.

Conformational Analysis of Diterpene Lactone Andrographolide towards Reestablishment of Its Absolute Configuration via Theoretical and Experimental ECD and VCD Methods

M. Langat, K. Awang, E. Anouar, 2020 .

Synthesis, characterization, biological evaluation, and kinetic study of indole base sulfonamide derivatives as acetylcholinesterase inhibitors in search of potent anti-Alzheimer agent

N. Uddin, F. Rahim, K. Khan, 2021 .

Synthesis of Benzimidazole–Based Analogs as Anti Alzheimer’s Disease Compounds and Their Molecular Docking Studies

N. Uddin, Z. Zakaria, S. Shah, 2020, Molecules.

Unexpected synthesis of novel 2-pyrone derivatives: crystal structures, Hirshfeld surface analysis and computational studies

J. Mague, Chin‐Hung Lai, E. Essassi, 2020, Journal of biomolecular structure & dynamics.

A newly synthesized 6-methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one for potential inhibitor of adenosine A1 receptor: a combined experimental and computational studies

J. Mague, E. Essassi, S. Karthikeyan, 2020, Journal of biomolecular structure & dynamics.

Novel (2-Oxoindolin-3-ylidene)methyl)-1H-pyrazole and their Fused Derivatives: Design, Synthesis, Antimicrobial Evaluation, DFT, Chemical Approach, in Silico ADME and Molecular Docking Studies.

M. Snoussi, A. Hassane, E. Anouar, 2022, Journal of Molecular Structure.

Synthesis, Structural confirmation, Antibacterial Properties and Bio-Informatics Computational Analyses of New Pyrrole Based on 8-Hydroxyquinoline

Faisal A. Almalki, B. Lakhrissi, A. Zarrouk, 2022, Journal of Molecular Structure.

Novel fused pyridine derivatives containing pyrimidine moiety as prospective tyrosyl-tRNA synthetase inhibitors: Design, synthesis, pharmacokinetics and molecular docking studies

M. Snoussi, E. Anouar, M. Gad-Elkareem, 2020 .

Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies

B. Ibrahimi, H. Elmsellem, E. Essassi, 2020 .

Exploring efficacy of indole-based dual inhibitors for α-glucosidase and α-amylase enzymes: In silico, biochemical and kinetic studies.

N. Uddin, N. Baig, A. Kawde, 2020, International journal of biological macromolecules.

Laevifins A-G, clerodane diterpenoids from the Bark of Croton oblongus Burm.f.

A. N. Aziz, C. Looi, N. Ismail, 2018, Phytochemistry.

UV/Visible spectra of a series of natural and synthesised anthraquinones: experimental and quantum chemical approaches

N. Ismail, E. Anouar, J. Weber, 2014, SpringerPlus.

Theoretical investigations of the antioxidant, optical and electronic properties of polyphenols :

E. Anouar, 2011 .

Synthesis of new heterocyclic systems oxazino derivatives of 8-Hydroxyquinoline: Drug design and POM analyses of substituent effects on their potential antibacterial properties

B. Lakhrissi, A. Zarrouk, M. Rbaa, 2019 .

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

J. Mague, E. Essassi, E. Anouar, 2018, Journal of Molecular Modeling.

Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2‑chloro‑3-butylquinazolin-4(3H)-one

Abdul-Malek S. Al-Tamimi, A. Kaiba, O. Ouerghi, 2021 .

Synthesis, α-Glucosidase and β-Galactosidase Inhibitory Potentials and Molecular Docking of Some Novel Benzofuran-Pyridazine Derivatives

E. Anouar, Y. Ramli, K. Karrouchi, 2022, Polycyclic Aromatic Compounds.

Synthesis, Spectroscopic Characterization, DFT, Molecular Docking and Antidiabetic Activity of N-Isonicotinoyl Arylaldehyde Hydrazones

I. Bayach, K. Bougrin, E. Anouar, 2022, Polycyclic Aromatic Compounds.

Palladium(II) complexes bearing N,O-bidentate Schiff base ligands: Experimental, in-silico, antibacterial, and catalytic properties

H. Bahron, E. Anouar, A. M. Tajuddin, 2022, Journal of Molecular Structure.

3,4-Dimethoxybenzohydrazide derivatives as antiulcer: Molecular modeling and density functional studies.

N. Ismail, A. Wadood, F. Rahim, 2017, Bioorganic chemistry.

Nano-synthesis, spectroscopic characterization, quantum chemical calculations, thermal properties and antimicrobial activity of (E)-N′-(2-hydroxybenzylidene)morpholine-4-carbothiohydrazide ligand and its metal complexes

E. Anouar, Ayman K. El‐Sawaf, 2020 .

Evaluation of the inhibition effect of novel cyclohepta[b]pyridine derivatives for copper corrosion and theoretical calculations

E. Anouar, A. Fathi, E. Kotb, 2021, Journal of Physical Organic Chemistry.

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 †

Awanish Kumar, A. Vimal, M. Alshammari, 2019, Molecules.

Anti-corrosion performance of 8-hydroxyquinoline derivatives for mild steel in acidic medium: Gravimetric, electrochemical, DFT and molecular dynamics simulation investigations

H. Elmsellem, B. Tüzün, K. Bougrin, 2020 .

Adsorption and corrosion inhibition accomplishment for thiosemicarbazone derivatives for mild steel in 1.0 M HCl medium: Electrochemical, XPS and DFT studies

K. Kassim, N. Hashim, Zaidi Embong, 2021 .

Electrochemical, DFT and MD simulation of newly synthesized triazolotriazepine derivatives as corrosion inhibitors for carbon steel in 1 M HCl

E. Essassi, E. Anouar, Lei Guo, 2019, Journal of Molecular Liquids.

Synthesis, biological activity and molecular modeling of a new series of condensed 1,2,4-triazoles.

J. Mague, E. Essassi, S. Karthikeyan, 2019, Bioorganic chemistry.

Cytotoxicity, alpha-glucosidase inhibition and molecular docking studies of hydroxamic acid chromium(III) complexes

H. Bahron, E. Anouar, Amalina MOHD TAJUDDIN, 2020, JBIC Journal of Biological Inorganic Chemistry.

Synthesis, Characterization, Antibacterial Evaluation, and Molecular Docking of New Quinazolinone-Based Derivatives

Mohammed H. Geesi, Y. Riadi, E. Anouar, 2022, Polycyclic Aromatic Compounds.

Synthesis and molecular modelling studies of phenyl linked oxadiazole-phenylhydrazone hybrids as potent antileishmanial agents.

N. Ismail, F. Rahim, K. Khan, 2017, European journal of medicinal chemistry.

Synthesis of indole derivatives as diabetics II inhibitors and enzymatic kinetics study of α-glucosidase and α-amylase along with their in-silico study.

N. Uddin, Faisal Nawaz, M. Nawaz, 2021, International journal of biological macromolecules.

Efficient novel eutectic-mixture-mediated synthesis of benzoxazole-linked pyrrolidin-2-one heterocycles

A. Kaiba, O. Ouerghi, Mohammed H. Geesi, 2020 .

New 1,2,3-triazole containing benzimidazolone derivatives: Syntheses, crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, DFT calculations, anti-corrosion property anticipation, and antibacterial activities

T. Hökelek, J. Mague, B. Ibrahimi, 2021 .

Synthesis of Thymidine Phosphorylase Inhibitor Based on Quinoxaline Derivatives and Their Molecular Docking Study

M. Nawaz, Z. Zakaria, S. Shah, 2019, Molecules.

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

J. Mague, E. Essassi, E. Anouar, 2023, Polycyclic Aromatic Compounds.

Synthesis, characterization, quantum chemical calculations and anticancer activity of a Schiff base NNOO chelate ligand and Pd(II) complex

K. Ramasamy, H. Bahron, E. Anouar, 2020, PloS one.

Synthesis, X-ray, spectroscopic characterization, Hirshfeld surface analysis, DFT calculation and molecular docking investigations of a novel 7-phenyl-2,3,4,5-tetrahydro-1H-1,4- diazepin-5-one derivative

J. Mague, Chin‐Hung Lai, E. Essassi, 2021, Journal of Molecular Structure.

Quantum Chemical Calculations and Statistical Analysis: Structural Cytotoxicity Relationships of some Synthesized 2-thiophen-naphtho(benzo)oxazinone Derivatives

Yasser A. Elnakady, R. Al-Salahi, A. Alharthi, 2018, Cell Biochemistry and Biophysics.

An effort to find new α-amylase inhibitors as potent antidiabetics compounds based on indole-based-thiadiazole analogs

Maya Haj Hassan, N. Uddin, A. Wadood, 2021, Journal of biomolecular structure & dynamics.

Inhibition potential of phenyl linked benzimidazole-triazolothiadiazole modular hybrids against β-glucuronidase and their interactions thereof.

N. Uddin, F. Rahim, K. Khan, 2020, International journal of biological macromolecules.

Multidimensional insights involving electrochemical and in silico investigation into the corrosion inhibition of newly synthesized pyrazolotriazole derivatives on carbon steel in a HCl solution

S. Kaya, E. Essassi, Jianhong Tan, 2019, RSC advances.

Computational, Kinetics, and Corrosion Protection Aspects of Electrodeposited Poly(Salicylic Acid) Coatings as a Corrosion Inhibitor for Mild Steel

M. E. Moustapha, E. Anouar, Amany M. A. Osman, 2022, Journal of Chemistry.

New aspects of the antioxidant properties of phenolic acids: a combined theoretical and experimental approach.

P. Trouillas, J. Duroux, P. Kosinová, 2009, Physical chemistry chemical physics : PCCP.

3-Benzyl(phenethyl)-2-thioxobenzo[g]quinazolines as a new class of potent α-glucosidase inhibitors: synthesis and molecular docking study.

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2018, Future medicinal chemistry.

Antioxidant properties of phenolic Schiff bases: structure–activity relationship and mechanism of action

El Hassane Anouar, Salwa Raweh, Imene Bayach, 2013, Journal of Computer-Aided Molecular Design.

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

Y. Mabkhot, S. Radi, A. Alharthi, 2021 .

Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, and molecular docking of new 6-bromo-imidazo[4,5-b]pyridine derivatives as potential tyrosyl-tRNA synthetase inhibitors.

J. Mague, E. Essassi, E. Anouar, 2023, Journal of biomolecular structure & dynamics.

A Quantum Chemical and Statistical Study of Cytotoxic Activity of Compounds Isolated from Curcuma zedoaria

K. Awang, Jamil A. Shilpi, O. A. Hamdi, 2015, International journal of molecular sciences.

An unprecedented diterpene with three new neoclerodanes from Teucrium sandrasicum O. Schwarz

E. Bedir, H. Yusufoglu, M. Aygün, 2021, Journal of Molecular Structure.

Diastereotopic labdane diterpenoids from rhizomes of Hedychium coronarium with α-glucosidase activity and their molecular docking study

E. Anouar, R. Ahmad, Fatimah Salim, 2023, Phytochemistry Letters.

In Vitro and in Vivo Antidiabetics Study of New Oxadiazole Derivatives Along with Molecular Docking Study

N. Uddin, F. Rahim, K. Khan, 2022, Polycyclic Aromatic Compounds.

Antioxidant Activity of Hispidin Oligomers from Medicinal Fungi: A DFT Study

E. Anouar, R. Ahmad, J. Weber, 2014, Molecules.

Understanding antioxidant properties of natural compounds at the atomic scale

P. Trouillas, G. Fabre, E. Anouar, 2013 .

Evaluation of Cytotoxic and Tyrosinase Inhibitory Activities of 2-phenoxy(thiomethyl)pyridotriazolopyrimidines: In Vitro and Molecular Docking Studies.

R. Al-Salahi, Hatem A. Abuelizz, Khalid A. Alburikan, 2020, Anti-cancer agents in medicinal chemistry.

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

J. Mague, Chin‐Hung Lai, A. Alharthi, 2022, Journal of the Chinese Chemical Society.

Structural cytotoxicity relationship of 2-phenoxy(thiomethyl)pyridotriazolopyrimidines: Quantum chemical calculations and statistical analysis

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2020 .

Structure Elucidation of the spiro-Polyketide Svalbardine B from the Arctic Fungal Endophyte Poaceicola sp. E1PB with Support from Extensive ESI-MSn Interpretation.

S. A. Alias, N. F. Thomas, E. Anouar, 2020, Journal of Natural Products.

Synthesis, in vitro evaluation and molecular docking studies of hybrid 4-quinolinyl bearing 1,3,4-thiadiazole-2-amine as a new inhibitor of α-amylase and α-glucosidase

N. Uddin, M. Nawaz, F. Rahim, 2023, Journal of Molecular Structure.

Synthesis of indole based acetohydrazide analogs: Their in vitro and in silico thymidine phosphorylase studies.

N. Uddin, F. Rahim, K. Khan, 2020, Bioorganic chemistry.

Synthesis, antibacterial evaluation, Raman, Crystal Structure and Hirshfeld Surface analysis of a new 3-(4-fluorophenyl)-6-methyl-2-(propylthio)quinazolin-4(3H)-one

A. Kaiba, O. Ouerghi, Mohammed H. Geesi, 2020 .

Spectroscopic Characterization, Hirshfeld Surface, DFT, and TD-DFT of tert-Butyl Phenethylcarbamate and 1,1-Dimethyl-3-Phenethylurea

G. El‐Hiti, M. Alshammari, E. Anouar, 2020, Journal of Applied Spectroscopy.

Anti-HAV evaluation and molecular docking of newly synthesized 3-benzyl(phenethyl)benzo[g]quinazolines.

R. Al-Salahi, Hatem A. Abuelizz, M. Marzouk, 2019, Bioorganic & medicinal chemistry letters.

Chemical reactivities and molecular docking studies of parthenolide with the main protease of HEP-G2 and SARS-CoV-2

M. Belghiti, M. Salah, A. Zeroual, 2021, Journal of Molecular Structure.

Free radical scavenging properties of guaiacol oligomers: a combined experimental and quantum study of the guaiacyl-moiety role.

P. Trouillas, F. Di Meo, J. Duroux, 2009, The journal of physical chemistry. A.

Exploring indole-based-thiadiazole derivatives as potent acetylcholinesterase and butyrylcholinesterase enzyme inhibitors.

N. Uddin, F. Rahim, K. Khan, 2021, International journal of biological macromolecules.

Synthesis of symmetrical bis-Schiff base-disulfide hybrids as highly effective anti-leishmanial agents.

N. Ismail, A. Al-Harrasi, F. Rahim, 2020, Bioorganic chemistry.

Identification of bisindolylmethane–hydrazone hybrids as novel inhibitors of β-glucuronidase, DFT, and in silico SAR intimations

N. Uddin, N. Ismail, S. Imran, 2016 .

Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

J. Mague, Sajjad Ahmad, E. Essassi, 2021, Applied Biochemistry and Biotechnology.

UV/Visible spectra of natural polyphenols: A time-dependent density functional theory study

J. Gierschner, P. Trouillas, J. Duroux, 2012 .

Adsorption, electrochemistry, DFT and inhibitive effect of imines derived from tribulin on corrosion of mild steel in 1 M HCl

Y. Alias, H. Bahron, M. Harun, 2021, Journal of Molecular Structure.

Antioxidant activity of mildbone and mildbenone secondary metabolites of Erythrina mildbraedii Harms: A theoretical approach

E. Anouar, 2016 .

Synthesis of diindolylmethane (DIM) bearing thiadiazole derivatives as a potent urease inhibitor

F. Rahim, M. Taha, E. Anouar, 2020, Scientific Reports.

Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and ADME/T studies

E. Berdimurodov, B. Lakhrissi, A. Zarrouk, 2021 .

Synthesis, spectroscopic characterization, crystal structure, DFT, ESI-MS studies, molecular docking and in vitro antibacterial activity of 1,5-benzodiazepin-2-one derivatives

T. Hökelek, J. Mague, E. Essassi, 2022 .

Novel 3-chloro-6-nitro-1H-indazole derivatives as promising antileishmanial candidates: synthesis, biological activity, and molecular modelling studies

K. Subramani, J. Mague, Chin‐Hung Lai, 2021, Journal of enzyme inhibition and medicinal chemistry.

Synthesis, Molecular Docking and β-Glucuronidase Inhibitory Potential of Indole Base Oxadiazole Derivatives

M. E. Moustapha, M. Nawaz, Mohammed H. Geesi, 2019, Molecules.

Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, molecular docking and Monte Carlo simulation of new quinoline-4-carboxylate derivatives

J. Mague, B. Ibrahimi, E. Essassi, 2021, Journal of Molecular Structure.

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

Ashwag S Alanazi, J. Mague, E. Essassi, 2023, Molecules.

Phytochemical profiling, antimicrobial, antibiofilm, insecticidal, and anti-leishmanial properties of aqueous extract from Juglans regia L. root bark: In vitro and in silico approaches

S. Sayadi, Ali Ellafi, M. E. El May, 2023, International Journal of Food Properties.

Syntheses, crystal structures, spectroscopic characterizations, DFT calculations, hirshfeld surface analyses and monte carlo simulations of novel long-chain alkyl-substituted 1,4-benzothiazine derivatives

T. Hökelek, J. Mague, B. Ibrahimi, 2020 .

Synthesis, in vitro biological screening and docking study of benzo[d]oxazole bis Schiff base derivatives as a potent anti-Alzheimer agent

N. Uddin, A. Rehman, Faisal Nawaz, 2022, Journal of biomolecular structure & dynamics.

In Vitro and In Silico Evaluation of Anticholinesterase and Antidiabetic Effects of Furanolabdanes and Other Constituents from Graptophyllum pictum (Linn.) Griffith

S. Laurent, E. Talla, R. Dinică, 2023, Molecules.

A Quantum Chemical and Statistical Study of Phenolic Schiff Bases with Antioxidant Activity against DPPH Free Radical

E. Anouar, 2014, Antioxidants.

Electrophilic Aromatic Synthesis of Radiodinated Aripiprazole: Experimental and DFT Investigations.

M. E. Moustapha, Mohammed H. Geesi, E. Anouar, 2020, Current organic synthesis.

Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1- H -Indazol-1-yl) Acetic Acid

J. Mague, E. Essassi, S. Brandán, 2023, Polycyclic Aromatic Compounds.

Chalcone-based imidazo[2,1-b]thiazole derivatives: synthesis, crystal structure, potent anticancer activity, and computational studies.

A. Altay, N. Dege, E. Anouar, 2023, Journal of biomolecular structure & dynamics.

Improving the anti-diabetic and anti-hyperlipidemic activities of extra virgin olive oil by the incorporation of diallyl sulfide.

W. Hamadou, T. Baati, E. Anouar, 2024, Cellular and molecular biology.

Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives

J. Mague, E. Essassi, Y. Sert, 2023, Polycyclic Aromatic Compounds.