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Ismail Daoud
إسماعيل داود(automatic transliteration)
Affiliation : University of Biskra · University of Abou Bekr Belkaïd
- 60Publications (affiliation in Algeria)
- 83Total publications
- 876Citations
- 16h-index
Research profile
Ismail Daoud has 60 indexed publications (2013–2026). Their work appears mainly in “Journal of Molecular Structure”, “Journal of Biomolecular Structure and Dynamics” and “Chemistry & Biodiversity”. Their most cited article, “Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors” (2018), has been cited 109 times. 27 of these publications date from the last three years of activity. Their work is co-authored with at least 12 researchers, including institutions in Poland, Saudi Arabia.
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Create my free profile Add my publicationsResearch areas
- Computational Drug Discovery Methods
- Synthesis and Characterization of Heterocyclic Compounds
- Synthesis and biological activity
- Crystal structures of chemical compounds
- Cholinesterase and Neurodegenerative Diseases
Publications (60)
- Spiropyrrolizine derivatives as multitarget antidiabetic agents in obese type 2 diabetes: integrated in silico , in vitro , and in vivo evaluation of DPP-4 inhibition and hepatic enzyme modulation
- Molecular modeling studies of novel breast cancer inhibitors using molecular docking, molecular dynamics, MEP, bioisosteric replacement, and ADME-Tox prediction
- In silico investigation of 4-(Trifluoromethyl)benzohydrazide derivatives as potential anti-Alzheimer’s agents by targeting acetylcholinesterase and butyrylcholinesterase
- Synthesis, X-ray, molecular electronic property investigation, and molecular docking analysis of two imino Schiff bases
- Molecular Insights Into N 4 HDPP Derivatives as Potential MTDH–SND1 Interaction Inhibitors in Metastatic Breast Cancer: A Combined Docking, Molecular Dynamics, MEP, and ADME‐T Study
- Synthesis of new bis(triethylphosphine)platinum(II) complexes containing heterocyclic selenones as potential inhibitors of human cancer: Experimental and theoretical investigations
- Halogen-Substituted Cinnamide Derivatives with Activity Against Toxoplasma gondii Parasites
- Microwave‐Assisted Synthesis, In Vitro Biological Evaluation, and Molecular Docking Studies of 2‐Aminothiophene Derivatives
- Biphasic Regulation of Human Lymphocyte Redox Status and Cytokine Secretion by Algerian Propolis Extract: In Vitro and In Silico Evaluations
- Dual Thioamide-Functionalized Molecular Design for Superior Copper Corrosion Inhibition in Sulfuric Acid: An Integrated RSM, DFT, and Surface Characterization Study
- Novel triazole-tethered thiazol-4(5H)-one hybrids as potential therapeutics for obesity and type 2 diabetes: in vitro, in vivo, and in silico evaluations
- Antileishmanial and Antitoxoplasmal Activities of 1,4-Dihydropyridines
- Harnessing the Potential of Coffee Parchment as a Source of Bioactive Compounds to Modulate T Lymphocyte Proliferation, Activity, and Oxidative Stress
- Antileishmanial and Antitoxoplasmal Activities of Acetone-Derived Monoketone Curcuminoids
- Chemical Composition and Antibacterial Potential of Lavandula latifolia and Lavandula angustifolia Essential Oils Against Bacillus cereus Isolated From Pipelines of Dairy Industry
- Molecular Docking/Dynamic Simulations and ADME-TOX-Based Analysis of Phthalimido-1,3-Thiazole Derivatives as BCR-ABL Inhibitors
- Antiparasitic Evaluation and In Silico Investigation of New Acyl Hydrazones from 3-Iodo-5-methoxy-4-propargyloxybenzaldehyde
- Exploration of New Inhibitors as Anti-Alzheimer Agents Through Molecular Modeling
- Asymmetric synthesis of enantiopure tetracyclic dispirooxindolopyrrolidine-piperidones via microwave-assisted multicomponent reaction: Crystallographic analysis, antimicrobial activity and in silico studies
- In Vitro and In Silico Studies of the Antimicrobial Activity of Prenylated Phenylpropanoids of Green Propolis and Their Derivatives against Oral Bacteria
- Design, Synthesis, Molecular Docking, and ADME-Tox Investigations of Imidazo[1,2-a]Pyrimidines Derivatives as Antimicrobial Agents
- Activity of (η6-arene)dichloridoruthenium(II) complexes with antifungal imidazolyl-based ligands against Toxoplasma gondii and Leishmania major
- One-pot synthesis of tricyclic pyrano[3.2-c]chromene derivatives and their evaluation through in vitro immunomodulatory activity against T cells; Molecular docking investigations and ADME-Tox prediction studies
- Polyphenolic Profile and In vitro, In Silico Study of Stem Extracts from J. Maritimus (Juncaceae) Harvested from Eastern Algeria as Potential Anti‐Inflammatory and Antioxidant Agents
- Theoretical Study of Anti-Alzheimer’s Disease Using Molecular Modeling Methods
- Studying the Inhibitory Activity of Novel Series Compounds for Parkinson’s Disease Using a Molecular Docking Method
- Molecular Docking/ADME-TOX-Based Analysis for New Anti-Colorectal Cancer Through Peroxiredoxin 1 Inhibition
- Chemical composition and in vivo/in silico anti-inflammatory activity of an antioxidant, non-toxic essential oil from Thymus algeriensis Boiss. & Reut.
- Synthesis of Tetracyclic Spirooxindolepyrrolidine-Engrafted Hydantoin Scaffolds: Crystallographic Analysis, Molecular Docking Studies and Evaluation of Their Antimicrobial, Anti-Inflammatory and Analgesic Activities
- Synthesis, characterization, anticancer activity and molecular docking of metal complexes bearing a new Schiff base ligand
- Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with novel scaffold
- Evaluation of the Antiparasitic and Antifungal Activities of Synthetic Piperlongumine‐Type Cinnamide Derivatives: Booster Effect by Halogen Substituents
- Molecular docking/dynamics simulations, MEP analysis, and pharmacokinetics prediction of some withangulatin A derivatives as allosteric glutaminase C inhibitors in breast cancer
- Investigation of spirooxindole-pyrrolidine derivatives as acetylcholinesterase inhibitors using molecular docking/dynamics simulations, bioisosteric replacement, MEP, and ADME/Tox properties
- Versatile anti-infective properties of pyrido- and dihydropyrido[2,3-d]pyrimidine-based compounds
- In Silico Approaches for the Study of New Anti-Parkinson’s Agents
- Study of Acetylcholinesterase and Butyrylcholinesterase (AChE/BuChE) Inhibition Using Molecular Modelling Methods
- Efficient Synthesis of 2-Aminopyridine Derivatives: Antibacterial Activity Assessment and Molecular Docking Studies
- Synthesis, characterization, anticancer activity, and molecular docking study of some metal complexes with a new Schiff base ligand
- An experimental and theoretical investigation of antimicrobial and anticancer properties of some new Schiff base complexes
- Synthesis, Molecular Docking and ADME-TOX Studies of New Tacrine Analogs as Promising for Alzheimer's Disease Therapy
- Fatty acid composition, acute toxicity and anti-inflammatory activity of the n-hexane extract from Ranunculus macrophyllus Desf. roots
- Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis
- Molecular docking/dynamic simulations, MEP, ADME-TOX-based analysis of xanthone derivatives as CHK1 inhibitors
- Diversity-Oriented Synthesis of Spiropyrrolo[1,2- a ]isoquinoline Derivatives via Diastereoselective and Regiodivergent Three-Component 1,3-Dipolar Cycloaddition Reactions: In Vitro and in Vivo Evaluation of the Antidiabetic Activity of Rhodanine Analogues
- In silico design of enzyme α-amylase and α-glucosidase inhibitors using molecular docking, molecular dynamic, conceptual DFT investigation and pharmacophore modelling
- Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics simulation
- K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents
- Potential inhibitors of angiotensin converting enzyme 2 receptor of COVID-19 by Corchorus olitorius Linn using docking, molecular dynamics, conceptual DFT investigation and pharmacophore mapping
- An integrated in silico and in vivo approach to determine the effects of three commonly used surfactants sodium dodecyl sulphate, cetylpyridinium chloride and sodium laureth sulphate on growth rate and hematology in Cyprinus carpio L
- Combined Conceptual-DFT, Quantitative MEP Analysis, and Molecular Docking Study of Benzodiazepine Analogs
- Homology Modelling, In Silico Prediction And Characterization Of Cytochrome c oxidase In Cyprinus carpio And Tubifex tubifex And Molecular Docking Studies Between The Modelled Protein And Three Commonly Used Surfactants Sodium Dodecyl Sulphate, Cetylpyridinium Chloride And Sodium Laureth Sulphate
- In silico evaluation of phenolic compounds as inhibitors of Α-amylase and Α-glucosidase
- A structural comparative study of charge transfer compounds: Synthesis, crystal structure, IR, Raman-spectroscopy, DFT computation and hirshfeld surface analysis
- Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors
- In Silico Drug-Designing Studies on Flavanoids as Anticolon Cancer Agents: Pharmacophore Mapping, Molecular Docking, and Monte Carlo Method-Based QSAR Modeling
- In silico investigation by conceptual DFT and molecular docking of antitrypanosomal compounds for understanding cruzain inhibition
- Docking Studies on Cyclooxygenases-2 Inhibitors based On Potential Ligand Binding Sites
- Food Dyes are Inhibitors of Human Protein Tyrosine Phosphatases (PTP1B) Molecular Docking Studies
- MM/QM study: Interactions of copper(II) and mercury(II) with food dyes in aqueous solutions
Publication venues
- Journal of Molecular Structure × 5
- Journal of Biomolecular Structure and Dynamics × 5
- Chemistry & Biodiversity × 4
- Molecules × 3
- Structural Chemistry × 3
- In Silico Pharmacology × 2
Publications per year
- 202610
- 20258
- 20249
- 202310
- 20227
- 20218
- 20201
- 20191
- 20181
- 20162
Collaborations
Partner institutions : École Supérieure en Sciences Appliquées de Tlemcen · Université de ain Témouchent · Larbi Ben M'hidi University of Oum El Bouaghi · Abbès Laghrour University of Khenchela · University Mohamed El Bachir El Ibrahimi of Bordj Bou Arreridj
Co-authors’ countries : Poland · Saudi Arabia
Co-authors
- Nadjib Melkemi
- Saïd Ghalem
- Samir Kenouche
- Fouzia Mesli
- Rania Kherachi
- Noureddine Choukchou‐Braham
- Ferdaous Hasni
- Ahmed Chelihi
- Toufik Salah
- Merzaka Mettai
- Ahlem Belkadi
- Imane Bensahbane
Bibliographic data from OpenAlex (open database).
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