Scholars@Duke
Eni Minerali

Eni Minerali

Associate In Research
Chemistry

Scholarly Works

Hyperpolarized <sup>15</sup>N<sub>2</sub>-Diazirine-Tagged MRI Probe for Monitoring γ-Glutamyl Transferase Activity.

Journal article ACS sensors · February 2026 The enzyme γ-glutamyl transferase (GGT) plays an important role in redox homeostasis and is overexpressed in many different cancers. The ability to assess GGT activity provides critical insights into cancer prognosis and pathology. Here, we present a novel ... Full text Cite

Identification of New Modulators and Inhibitors of Palmitoyl-Protein Thioesterase 1 for CLN1 Batten Disease and Cancer.

Journal article ACS omega · March 2024 Palmitoyl-protein thioesterase 1 (PPT1) is an understudied enzyme that is gaining attention due to its role in the depalmitoylation of several proteins involved in neurodegenerative diseases and cancer. PPT1 is overexpressed in several cancers, specificall ... Full text Cite

Quantum Machine Learning Algorithms for Drug Discovery Applications.

Journal article Journal of chemical information and modeling · June 2021 The growing quantity of public and private data sets focused on small molecules screened against biological targets or whole organisms provides a wealth of drug discovery relevant data. This is matched by the availability of machine learning algorithms suc ... Full text Cite

The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.

Journal article Chemical research in toxicology · May 2021 Acetylcholinesterase (AChE) is an important drug target in neurological disorders like Alzheimer's disease, Lewy body dementia, and Parkinson's disease dementia as well as for other conditions like myasthenia gravis and anticholinergic poisoning. In this s ... Full text Cite

Repurposing drugs for CLN1 Batten disease: An integrative drug discovery approach

Journal article Molecular Genetics and Metabolism · February 2021 Full text Cite

Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery.

Journal article Molecular pharmaceutics · January 2021 Machine learning methods are attracting considerable attention from the pharmaceutical industry for use in drug discovery and applications beyond. In recent studies, we and others have applied multiple machine learning algorithms and modeling metrics and, ... Full text Cite

Evaluation of Assay Central Machine Learning Models for Rat Acute Oral Toxicity Prediction

Journal article ACS Sustainable Chemistry & Engineering · October 26, 2020 Full text Cite

Machine Learning for Discovery of GSK3β Inhibitors.

Journal article ACS omega · October 2020 Alzheimer's disease (AD) is the most common cause of dementia, affecting approximately 35 million people worldwide. The current treatment options for people with AD consist of drugs designed to slow the rate of decline in memory and cognition, but these tr ... Full text Cite

Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI).

Journal article Molecular pharmaceutics · July 2020 Drug-induced liver injury (DILI) is one the most unpredictable adverse reactions to xenobiotics in humans and the leading cause of postmarketing withdrawals of approved drugs. To date, these drugs have been collated by the FDA to form the DILIRank database ... Full text Cite