New insights into protein–protein interaction modulators in drug discovery and therapeutic advance

H Nada, Y Choi, S Kim, KS Jeong… - … and Targeted Therapy, 2024‏ - nature.com
Protein-protein interactions (PPIs) are fundamental to cellular signaling and transduction
which marks them as attractive therapeutic drug development targets. What were once …

Perspective for discovery of small molecule IL-6 inhibitors through study of structure–activity relationships and molecular docking

H Nada, A Sivaraman, Q Lu, K Min, S Kim… - Journal of Medicinal …, 2023‏ - ACS Publications
Interleukin-6 (IL-6) is a proinflammatory cytokine that plays a key role in the pathogenesis
and physiology of inflammatory and autoimmune diseases, such as coronary heart disease …

[HTML][HTML] The transporter-mediated cellular uptake and efflux of pharmaceutical drugs and biotechnology products: how and why phospholipid bilayer transport is …

DB Kell - Molecules, 2021‏ - mdpi.com
Over the years, my colleagues and I have come to realise that the likelihood of
pharmaceutical drugs being able to diffuse through whatever unhindered phospholipid …

The Ontology of Biological Attributes (OBA)—computational traits for the life sciences

R Stefancsik, JP Balhoff, MA Balk, RL Ball, SM Bello… - Mammalian …, 2023‏ - Springer
Existing phenotype ontologies were originally developed to represent phenotypes that
manifest as a character state in relation to a wild-type or other reference. However, these do …

Cardiotoxicity hazard and risk characterization of toxcast chemicals using human induced pluripotent stem cell-derived cardiomyocytes from multiple donors

SD Burnett, AD Blanchette, WA Chiu… - Chemical research in …, 2021‏ - ACS Publications
Heart disease remains a significant human health burden worldwide with a significant
fraction of morbidity attributable to environmental exposures. However, the extent to which …

Informing Hazard Identification and Risk Characterization of Environmental Chemicals by Combining Transcriptomic and Functional Data from Human-Induced …

HHD Tsai, LC Ford, SD Burnett, AN Dickey… - Chemical research in …, 2024‏ - ACS Publications
Environmental chemicals may contribute to the global burden of cardiovascular disease, but
experimental data are lacking to determine which substances pose the greatest risk. Human …

Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials

L John, HJ Mahanta, Y Soujanya, GN Sastry - Computers in biology and …, 2023‏ - Elsevier
One of the major challenges in drug development is having acceptable levels of efficacy and
safety throughout all the phases of clinical trials followed by the successful launch in the …

Introduction to special issue: computational toxicology

NC Kleinstreuer, IV Tetko, W Tong - Chemical Research in …, 2021‏ - ACS Publications
Computational toxicology concerns the use of computa-tional tools to support integrative
approaches to toxicological research and chemical safety assessments via predictive …

[HTML][HTML] Statistical analysis of preclinical inter-species concordance of histopathological findings in the etox database

PSR Wright, KA Briggs, R Thomas, GF Smith… - Regulatory Toxicology …, 2023‏ - Elsevier
Preclinical inter-species concordance can increase the predictivity of observations to the
clinic, potentially reducing drug attrition caused by unforeseen adverse events. We …

Analysis of virtual control groups and inter-species concordance using preclinical toxicity data

P Wright - 2023‏ - repository.cam.ac.uk
Abstract Chapter 1 (Introduction). In line with the US EPA's “Toxicity Testing in the 21st
Century: A Vision and Strategy” and the Replacement, Refinement, and Reduction (3Rs) …