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Wafaa Benchouk

Affiliation : University of Abou Bekr Belkaïd

18Publications (affiliation algérienne)
24Publications au total
299Citations
9Indice h

Profil de recherche

Wafaa Benchouk compte 18 publications référencées (2006–2024). Ses travaux paraissent principalement dans « Journal of Molecular Structure THEOCHEM », « Journal of Biomolecular Structure and Dynamics » et « RSC Advances ». Son article le plus cité, « Understanding the kinetic solvent effects on the 1,3‐dipolar cycloaddition of benzonitrile N‐oxide: a DFT study » (2011), a été cité 85 fois. 4 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs, notamment dans des établissements de Espagne.

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Domaines de recherche

Organic Chemistry Cycloaddition Reactions
Chemical Reaction Mechanisms
Computational Drug Discovery Methods
Advanced Chemical Physics Studies
Synthesis and Characterization of Heterocyclic Compounds

Publications (18)

Computational exploration of novel ketoprofen derivatives: Molecular dynamics simulations and MM-PBSA calculations for COX-2 inhibition as promising anti-inflammatory drugs
2024 · Computers in Biology and Medicine · cité 12 fois
Prediction of the regioselectivity of the ruthenium-catalyzed [3+2] cycloadditions of benzyl azide with internal alkynes using conceptual DFT indices of reactivity
2023 · Chemistry of Heterocyclic Compounds · cité 13 fois
In silico design based on quantum chemical, molecular docking studies and ADMET predictions of ciprofloxacin derivatives as novel potential antibacterial and antimycrobacterium agents
2023 · Journal of Biomolecular Structure and Dynamics · cité 4 fois
Computer-aided analysis for identification of novel analogues of ketoprofen based on molecular docking, ADMET, drug-likeness and DFT studies for the treatment of inflammation
2022 · Journal of Biomolecular Structure and Dynamics · cité 8 fois
Understanding the regioselectivity of the copper(I)- and ruthenium(II)- catalyzed [3 + 2] cycloadditions of azido derivative of ribose with terminal alkyne: a theoretical study
2021 · Theoretical Chemistry Accounts · cité 9 fois
Theoretical Insight into the Reversal of Chemoselectivity in Diels-Alder Reactions of α,β-Unsaturated Aldehydes and Ketones Catalyzed by Brønsted and Lewis Acids
2021 · Organics · cité 2 fois
Understanding the Influence of the Trifluoromethyl Group on the Selectivities of the [3+2] Cycloadditions of Thiocarbonyl S ‐methanides with α,β‐Unsaturated Ketones. A MEDT study
2020 · ChemistrySelect · cité 7 fois
Understanding the influence of the trifluoromethyl group on the chemo-, regio-, and stereoselectivity of [3+2]-cycloadditions of thiocarbonyl S-methanides with α,β-unsaturated ketones. A molecular electron density theory study
2020
Prediction of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Nitrile Oxides with 2(5H)-Furanones Using Recent Theoretical Reactivity Indices
2017 · Progress in Reaction Kinetics and Mechanism · cité 1 fois
Theoretical study of the regio- and stereoselectivity of the intramolecular Povarov reactions yielding 5H-chromeno[2,3-c] acridine derivatives
2016 · RSC Advances · cité 10 fois
Regio- and diastereoselectivity of the 1,3-dipolar cycloaddition of α-aryl nitrone with methacrolein. A theoretical investigation
2015 · RSC Advances · cité 4 fois
Understanding the kinetic solvent effects on the 1,3‐dipolar cycloaddition of benzonitrile N‐oxide: a DFT study
2011 · Journal of Physical Organic Chemistry · cité 85 fois
Understanding the regio- and chemoselective polar [3+2] cycloaddition of the Padwa carbonyl ylides with α-methylene ketones. A DFT study
2009 · Tetrahedron · cité 36 fois
Theoretical analysis of the regioselectivity of 1,3-dipolar cycloaddition of C-(methoxycarbonyl)-N-methyl with methyl acrylate and vinyl acetate
2008 · Journal of Molecular Structure THEOCHEM · cité 34 fois
Theoretical study of the mechanism and regioselectivity of the 1,3-dipolar cycloaddition of diazomethane with methyl acrylate using theoretical approaches
2008 · Journal of Molecular Structure THEOCHEM · cité 20 fois
Understanding the role of the Lewis acid catalyst on the 1,3-dipolar cycloaddition of N-benzylideneaniline N-oxide with acrolein: a DFT study
2007 · Tetrahedron · cité 40 fois
Prediction of the reactivity of 2(5H)-furanones as potential dienophiles in Diels–Alder reactions using philicity indexes
2007 · Journal of Molecular Structure THEOCHEM · cité 10 fois
REGIOSELECTIVITY OF HETERO DIELS–ALDER REACTIONS BETWEEN 1-AZA-1,3-BUTADIENE DERIVATIVES AND DIMETHYLVINYLAMINE: A THEORETICAL INVESTIGATION
2006 · Journal of Theoretical and Computational Chemistry · cité 4 fois

Revues de publication

Journal of Molecular Structure THEOCHEM × 3
Journal of Biomolecular Structure and Dynamics × 2
RSC Advances × 2
Tetrahedron × 2
Computers in Biology and Medicine × 1
Chemistry of Heterocyclic Compounds × 1

Publications par année

20241
20232
20221
20212
20202
20171
20161
20151
20111
20091

Collaborations

Établissements partenaires : Universitat de València · Université de Saida Dr Moulay Tahar

Pays des co-auteurs : Espagne

Co-auteurs

Données bibliographiques issues d’OpenAlex (base ouverte).