Abdul Samad

Kurdistan, SU, Iraq

Last Updated: 09/26/2026

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Found 27 publications

A Topological and Spatial Analysis of FDA-Approved Drugs, Blood-Brain Barrier Permeants, Natural Products, and Metabolites.

A Topological and Spatial Analysis of FDA-Approved Drugs, Blood-Brain Barrier Permeants, Natural Products, and Metabolites.

Journal: ChemMedChem

Published: May 30, 2026

Machine learning modeling of acute inhalation toxicity using an RFA-RFR framework, supported by explainable AI and SALI-based activity cliff analysis.

Machine learning modeling of acute inhalation toxicity using an RFA-RFR framework, supported by explainable AI and SALI-based activity cliff analysis.

Journal: Journal of pharmacological and toxicological methods

Published: December 15, 2025

Machine learning and docking-based insights into descriptor, activity, and chirality cliffs of SYK inhibitors.

Machine learning and docking-based insights into descriptor, activity, and chirality cliffs of SYK inhibitors.

Journal: Journal of molecular graphics & modelling

Published: November 25, 2025

From in-silico QSAR modeling to in-vitro MTT assay: experimental validation of novel uPAR leads for triple-negative breast cancer (TNBC) and skin cancer.

From in-silico QSAR modeling to in-vitro MTT assay: experimental validation of novel uPAR leads for triple-negative breast cancer (TNBC) and skin cancer.

Journal: Scientific reports

Published: October 05, 2025

Integrated QSAR, molecular docking, and dynamics-based discovery of a potent selective HDAC1 inhibitor with therapeutic potential in aggressive cancers.

Integrated QSAR, molecular docking, and dynamics-based discovery of a potent selective HDAC1 inhibitor with therapeutic potential in aggressive cancers.

Journal: Journal of molecular graphics & modelling

Published: August 10, 2025

e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray.

e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray.

Journal: Computational biology and chemistry

Published: December 17, 2024

Analyzing Oxygen Atom Distribution in FDA-Approved Drugs to Enhance Drug Discovery Strategies.

Analyzing Oxygen Atom Distribution in FDA-Approved Drugs to Enhance Drug Discovery Strategies.

Journal: Chemical biology & drug design

Published: October 22, 2024

A Review on EGFR-Tyrosine Kinase Inhibitors and their Resistance Mechanisms.

A Review on EGFR-Tyrosine Kinase Inhibitors and their Resistance Mechanisms.

Journal: Current pharmaceutical design

Published: September 10, 2024

Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach.

Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach.

Journal: Expert opinion on drug discovery

Published: June 20, 2024

Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor.

Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor.

Journal: Journal of biomolecular structure & dynamics

Published: February 22, 2024

Pharmacological Basis for the Antidiarrheal and Antispasmodic Effects of Cuminaldehyde in Experimental Animals: In Silico, Ex Vivo and In Vivo Studies.

Pharmacological Basis for the Antidiarrheal and Antispasmodic Effects of Cuminaldehyde in Experimental Animals: In Silico, Ex Vivo and In Vivo Studies.

Journal: Frontiers in bioscience (Landmark edition)

Published: November 04, 2023

QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain.

QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain.

Journal: Journal of biomolecular structure & dynamics

Published: May 05, 2023

Showing 1-12 of 27

Last Updated: 09/26/2026