Aimen K. Aljoundi

Durban, ZN 4001, South Africa

Last Updated: 09/26/2026

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Found 23 publications

Conserved hydrophobic gatekeeper mechanisms in COX-1-like pockets revealed by AI-driven pocket similarity and molecular dynamics simulations of mofezolac.

Conserved hydrophobic gatekeeper mechanisms in COX-1-like pockets revealed by AI-driven pocket similarity and molecular dynamics simulations of mofezolac.

Journal: Computational biology and chemistry

Published: March 28, 2026

Morinda lucida Leaf Metabolites Ameliorate Aluminium Chloride-Mediated Chronic Inflammation and Modulate Proteins-Linked to Erectile Dysfunction in Rat Testes.

Morinda lucida Leaf Metabolites Ameliorate Aluminium Chloride-Mediated Chronic Inflammation and Modulate Proteins-Linked to Erectile Dysfunction in Rat Testes.

Journal: Chemistry & biodiversity

Published: October 16, 2025

Cinnamomum verum and Coriandrum sativum secondary metabolites exhibit neuroprotective potential: insights from in vitro, ex vivo and computational models.

Cinnamomum verum and Coriandrum sativum secondary metabolites exhibit neuroprotective potential: insights from in vitro, ex vivo and computational models.

Journal: In silico pharmacology

Published: July 20, 2024

Computational and theoretical insights into the cytotoxic prospects of compounds isolated from Elaeodendron buchananii against Leukemia.

Computational and theoretical insights into the cytotoxic prospects of compounds isolated from Elaeodendron buchananii against Leukemia.

Journal: Toxicology reports

Published: June 08, 2024

Exploring the inhibitory action of betulinic acid on key digestive enzymes linked to diabetes via in vitro and computational models: approaches to anti-diabetic mechanisms.

Exploring the inhibitory action of betulinic acid on key digestive enzymes linked to diabetes via in vitro and computational models: approaches to anti-diabetic mechanisms.

Journal: SAR and QSAR in environmental research

Published: May 20, 2024

Investigation of Simultaneous and Sequential Cooperative Homotropic Inhibitor Binding to the Catalytic Chamber of SARS-CoV-2 RNA-dependent RNA Polymerase (RdRp).

Investigation of Simultaneous and Sequential Cooperative Homotropic Inhibitor Binding to the Catalytic Chamber of SARS-CoV-2 RNA-dependent RNA Polymerase (RdRp).

Journal: Cell biochemistry and biophysics

Published: August 05, 2023

Potential molecular mechanisms underlying the ameliorative effect of Cola nitida (Vent.) Schott & Endl. on insulin resistance in rat skeletal muscles.

Potential molecular mechanisms underlying the ameliorative effect of Cola nitida (Vent.) Schott & Endl. on insulin resistance in rat skeletal muscles.

Journal: Journal of ethnopharmacology

Published: July 30, 2023

Therapeutic Path to Triple Knockout: Investigating the Pan-inhibitory Mechanisms of AKT, CDK9, and TNKS2 by a Novel 2-phenylquinazolinone Derivative in Cancer Therapy- An In-silico Investigation Therapy.

Therapeutic Path to Triple Knockout: Investigating the Pan-inhibitory Mechanisms of AKT, CDK9, and TNKS2 by a Novel 2-phenylquinazolinone Derivative in Cancer Therapy- An In-silico Investigation Therapy.

Journal: Current pharmaceutical biotechnology

Published: February 27, 2023

The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19.

The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19.

Journal: Molecules (Basel, Switzerland)

Published: February 21, 2023

Molecular modelling of SdiA protein by selected flavonoid and terpenes compounds to attenuate virulence in Klebsiella pneumoniae.

Molecular modelling of SdiA protein by selected flavonoid and terpenes compounds to attenuate virulence in Klebsiella pneumoniae.

Journal: Journal of biomolecular structure & dynamics

Published: November 23, 2022

Enzyme-responsive biomimetic solid lipid nanoparticles for antibiotic delivery against hyaluronidase-secreting bacteria.

Enzyme-responsive biomimetic solid lipid nanoparticles for antibiotic delivery against hyaluronidase-secreting bacteria.

Journal: International journal of pharmaceutics

Published: November 09, 2022

Revealing the Role of the Arg and Lys in Shifting Paradigm from BTK Selective Inhibition to the BTK/HCK Dual Inhibition - Delving into the Inhibitory Activity of KIN-8194 against BTK, and HCK in the Treatment of Mutated BTKCys481 Waldenström Macroglobulinemia: A Computational Approach.

Revealing the Role of the Arg and Lys in Shifting Paradigm from BTK Selective Inhibition to the BTK/HCK Dual Inhibition - Delving into the Inhibitory Activity of KIN-8194 against BTK, and HCK in the Treatment of Mutated BTKCys481 Waldenström Macroglobulinemia: A Computational Approach.

Journal: Anti-cancer agents in medicinal chemistry

Published: July 22, 2022

Showing 1-12 of 23

Last Updated: 09/26/2026