Publications

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Quantitative Structure–Activity Relationship Models for Predicting Inflammatory Potential of Metal Oxide Nanoparticles

Although substantial concerns about the inflammatory effects of engineered nanomaterial (ENM) have been raised, experimentally assessing toxicity of various ENMs is challenging and time-consuming. Alternatively, quantitative structure–activity relationship (QSAR) models…

Journal: Environmental Health Perspectives


Deep immune profiling of patients treated with lenalidomide and dexamethasone with or without daratumumab

CD38-targeted antibody, daratumumab, is approved for the treatment of multiple myeloma (MM). Phase 1/2 studies GEN501/SIRIUS revealed a novel immunomodulatory mechanism of action (MOA) of daratumumab that enhanced the immune…

Journal: Leukemia


Advances in Computational Toxicology – Methodologies and Applications in Regulatory Science

Excerpt from Chapter 1 – Computational Toxicology Promotes Regulatory Science: New tools have become available to researchers and regulators including genomics, transcriptomics, proteomics, machine learning, artificial intelligence, molecular dynamics, bioinformatics,…


Realizing the promise of computational prediction in toxicology applications

Toxicant screening is only as efficient and effective as the underlying methods. Unfortunately, chemical toxicity screening is predominated by slow, laborious, and costly methods some of which raise ethical concerns….


Similarities and differences between variants called with human reference genome HG19 or HG38

Reference genome selection is a prerequisite for successful analysis of next generation sequencing (NGS) data. Current practice employs one of the two most recent human reference genome versions: HG19 or…


Computational prediction models for assessing endocrine disrupting potential of chemicals

Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine function. Humans and wildlife are exposed to EDCs might alter endocrine functions through various mechanisms and lead to an adverse…

Journal: Journal of Environmental Science and Health, Part C Environmental Carcinogenesis and Ecotoxicology Reviews


Computational prediction models for assessing endocrine disrupting potential of chemicals

Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine function. Humans and wildlife are exposed to EDCs might alter endocrine functions through various mechanisms and lead to an adverse…


Physicochemical, biological, functional and toxicological characterization of the European follow-on glatiramer acetate product as compared with Copaxone

For more than 20 years, Copaxone (glatiramer acetate, Teva), a non-biological complex drug, has been a safe and effective treatment option for multiple sclerosis. In 2016, a follow-on glatiramer acetate…


Large-scale transcriptomic analysis reveals that pridopidine reverses aberrant gene expression and activates neuroprotective pathways in the YAC128 HD mouse

Huntington Disease (HD) is an incurable autosomal dominant neurodegenerative disorder driven by an expansion repeat giving rise to the mutant huntingtin protein (mHtt), which is known to disrupt a multitude…

Journal: Molecular Neurodegeneration


Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated through Molecular Dynamics Simulations

When a small molecule binds to the androgen receptor (AR), a conformational change can occur which impacts subsequent binding of co-regulator proteins and DNA. In order to accurately study this…

Journal: Frontiers in Pharmacology


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