30 Mar 2026Open access
Design, in silico simulation, and pharmacological evaluation of novel eugenol-vanillin hybrids as potential vasorelaxant and antihypertensive agentsPublisher siteScientific African, Biochemical and biochemical processes
Active, last published 2026
In synthesis and biological activity
Ayoub
Khaldan
Scholar“Research focused on Synthesis and biological activity and adjacent fields.”
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01 · About the work
What I study
youb Khaldan is a researcher working on Synthesis and biological activity. A fuller summary will appear once they update their profile.
02 · Reach
Publication output and reach
Ayoub's work has been cited 288 times across 4 active years. Bars show publications per year; the line shows cumulative citation totals across publications first appearing in each year.
03 · Research focus
Topics
Synthesis and biological activity×24Computational Drug Discovery Methods×23Natural Antidiabetic Agents Studies×7Click Chemistry and Applications×4Synthesis and Characterization of Heterocyclic Compounds×4
04 · Where I am
Affiliations
Affiliation on published researchUniversité Moulay Ismail de Meknes, MoroccoDrawn from the institution listed on this researcher’s published work.
Research themes (UN SDGs)
05 · Selected work
Recent publications
8 works6 Jan 20259cites
Design, 3D-QSAR, molecular docking, MD simulations, ADME/Tox properties and DFT study of benzimidazole derivatives as promising α-glucosidase inhibitorsPublisher siteJournal of Molecular Structure, Synthesis and biological activity
16 Feb 2024Open access13cites
Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studiesPublisher siteChemical Physics Impact, Synthesis and biological activity
2 Feb 2024Open access18cites
Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studiesPublisher siteArabian Journal of Chemistry, Computational Drug Discovery Methods
23 Jan 2024Open access14cites
Garlic as an effective antifungal inhibitor: A combination of reverse docking, molecular dynamics simulation, ADMET screening, DFT, and retrosynthesis studiesPublisher siteArabian Journal of Chemistry, Garlic and Onion Studies
1 Jan 2024Open access9cites
3D-QSAR, molecular docking, ADMET, simulation dynamic, and retrosynthesis studies on new styrylquinolines derivatives against breast cancerPublisher siteOpen Chemistry, Synthesis and biological activity
30 Aug 2023Open access26cites
Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamicsPublisher siteArabian Journal of Chemistry, Computational Drug Discovery Methods
25 May 202319cites
3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activityPublisher siteJournal of Biomolecular Structure and Dynamics, Synthesis and biological activity
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