Abdelali Agouni

Doha, DA, Qatar

Last Updated: 09/26/2026

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Found 99 publications

ERβ-Score: An Interpretable Machine Learning-Based Scoring Function and Web Server for Estrogen Receptor β-Guided Drug Discovery in Triple-Negative Breast Cancer.

ERβ-Score: An Interpretable Machine Learning-Based Scoring Function and Web Server for Estrogen Receptor β-Guided Drug Discovery in Triple-Negative Breast Cancer.

Journal: International journal of molecular sciences

Published: June 24, 2026

Emerging antifungal agents in human medicine: Mechanisms, clinical progress, and future perspectives.

Emerging antifungal agents in human medicine: Mechanisms, clinical progress, and future perspectives.

Journal: European journal of medicinal chemistry

Published: May 20, 2026

Microvesicle-Derived Redox Signatures as Mediators of Endothelial Dysfunction in Diabetes.

Microvesicle-Derived Redox Signatures as Mediators of Endothelial Dysfunction in Diabetes.

Journal: International journal of molecular sciences

Published: May 19, 2026

Age and sex modify the association between plasma Sestrin2 and bone mineral density: a cross-sectional study.

Age and sex modify the association between plasma Sestrin2 and bone mineral density: a cross-sectional study.

Journal: JBMR plus

Published: April 28, 2026

Combining Triazole Scaffold Repurposing and Generative Transformer Architecture for Structure-Based Inhibitor Design Targeting the LasR Quorum Sensing Receptor of Pseudomonas aeruginosa.

Combining Triazole Scaffold Repurposing and Generative Transformer Architecture for Structure-Based Inhibitor Design Targeting the LasR Quorum Sensing Receptor of Pseudomonas aeruginosa.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: April 14, 2026

Antiparasitic agents in oncology: Innovative mechanisms, emerging evidence and clinical potential in cancer treatment.

Antiparasitic agents in oncology: Innovative mechanisms, emerging evidence and clinical potential in cancer treatment.

Journal: European journal of medicinal chemistry

Published: April 06, 2026

An Integrative Computational Pipeline for CK2 Inhibitor Discovery in Triple-Negative Breast Cancer Using Virtual Screening, Molecular Dynamics, Machine Learning, and Density Functional Theory.

An Integrative Computational Pipeline for CK2 Inhibitor Discovery in Triple-Negative Breast Cancer Using Virtual Screening, Molecular Dynamics, Machine Learning, and Density Functional Theory.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: March 17, 2026

Meta-inflammation in Hidradenitis suppurativa: from pathogenic evidence to therapeutic approaches.

Meta-inflammation in Hidradenitis suppurativa: from pathogenic evidence to therapeutic approaches.

Journal: Frontiers in immunology

Published: March 10, 2026

Correction: Microsecond simulations to investigate the structural mechanism of super-resistant double mutations in BTK to the covalent inhibitor ibrutinib in multiple leukemia.

Correction: Microsecond simulations to investigate the structural mechanism of super-resistant double mutations in BTK to the covalent inhibitor ibrutinib in multiple leukemia.

Journal: Scientific reports

Published: January 20, 2026

Integrative immunoinformatics and molecular modeling approaches for the rational design and in silico validation of a multi-epitope vaccine candidate against human herpesvirus 7.

Integrative immunoinformatics and molecular modeling approaches for the rational design and in silico validation of a multi-epitope vaccine candidate against human herpesvirus 7.

Journal: Naunyn-Schmiedeberg's archives of pharmacology

Published: January 16, 2026

Integrative computational pipeline for the in silico prioritization of potential KIF11-targeting drug candidates in glioblastoma.

Integrative computational pipeline for the in silico prioritization of potential KIF11-targeting drug candidates in glioblastoma.

Journal: Journal of molecular graphics & modelling

Published: December 07, 2025

Inhibiting CK2 in breast cancer: From molecular targets to drug candidates.

Inhibiting CK2 in breast cancer: From molecular targets to drug candidates.

Journal: European journal of medicinal chemistry

Published: December 07, 2025

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Last Updated: 09/26/2026