Expert opinion on drug metabolism & toxicology
Dec 2, 2014
INTRODUCTION: Pharmacokinetics involves the study of absorption, distribution, metabolism, excretion and toxicity of xenobiotics (ADME-Tox). In this sense, the ADME-Tox profile of a bioactive compound can impact its efficacy and safety. Moreover, eff...
In early-stage development of therapeutic monoclonal antibodies, assessment of the viability and ease of their purification typically requires extensive experimentation. However, the work required for upstream protein expression and downstream purifi...
The mutagenicity of chemical compounds is a key consideration in toxicology, drug development, and environmental safety. Traditional methods such as the Ames test, while reliable, are time-intensive and costly. With advances in imaging and machine le...
Per- and polyfluoroalkyl substances (PFASs) contamination poses an environmental concern due to their ability to bioaccumulate in aquatic species and adversely impact human health. Experimental bioconcentration factor (log BCF) data of freshwater fis...
Journal of the science of food and agriculture
Sep 1, 2025
BACKGROUND: The present study aimed to measure bioavailability (BA) indicators, including epithelial barrier function, apparent permeability (P) and efflux ratio, of 84 types of phytochemicals using Caco-2 cell and to develop predictive model systems...
Environmental toxicology and chemistry
Sep 1, 2025
In silico methods are increasingly important in predicting the ecotoxicity of engineered nanomaterials (ENMs), encompassing both individual and mixture toxicity predictions. It is widely recognized that ENMs trigger oxidative stress effects by genera...
Journal of chemical information and modeling
Aug 11, 2025
Drug discovery is a lengthy and resource-intensive process that requires innovative computational techniques to expedite the transition from laboratory research to life-saving medications. Here, we introduce Qsarna, a comprehensive online platform th...
Journal of chemical information and modeling
Aug 11, 2025
Deep learning models for the quantitative structure-property relationship (QSPR) have traditionally encountered challenges related to limited interpretability and generalizability. In this study, we present the simplified molecular input line entry s...
In the histone deacetylase (HDAC) family, HDAC11 is the smallest and a single member under the class IV subtype. It is important as a drug target mainly in cancer, inflammatory and autoimmune diseases. The design and development of selective HDAC11 i...
INTRODUCTION: Microtubules, composing of α, β-tubulin dimers, are important for cellular processes like proliferation and transport, thereby they become suitable targets for research in cancer. Existing candidates often exhibit off-target effects, ne...
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