Pharmacology and toxicology explore how substances interact with living systems, ranging from the development of life-saving medicines to understanding the dangers of chemical exposure. This field sits at the critical intersection of chemistry and biology, asking essential questions about how drugs work, how the body processes them, and what happens when things go wrong. It is a dynamic area where researchers constantly strive to improve patient safety while discovering new therapeutic possibilities.

At Gist.Science, we bridge the gap between complex research and public understanding by curating the latest preprints from bioRxiv in this vital category. Our team processes every new submission from bioRxiv as it appears, transforming dense scientific data into both plain-language overviews and detailed technical summaries. This ensures that whether you are a specialist or a curious reader, you can grasp the significance of these emerging findings without getting lost in jargon.

Below are the most recent pharmacology and toxicology papers from bioRxiv, each accompanied by our expert analysis to help you navigate the latest scientific breakthroughs.

📄 pharmacology and toxicology

MD simulations of Human Sigma1 Receptor Trimer Uncovers Cholesterol Dependent Stabilization and Ligand Specific Dynamics

This study utilizes extensive atomistic molecular dynamics simulations to demonstrate that cholesterol stabilizes the human Sigma-1 receptor trimer and that distinct agonist and antagonist ligands differentially modulate its oligomeric dynamics through specific interactions involving the β\beta6-strand and residue W136.

Nanna, V., Paternoster, C., Bartocci, A., Alberga, D., Abate, C., Lattanzi, G., Mangiatordi, G. F.2026-03-08
📄 pharmacology and toxicology

A spoonful of what helps the medicine go down? Improving the reliability of voluntary ingestion for oral dosing in rats and mice

This study demonstrates that incorporating taste-masking agents, such as Bitter Drug Powder or a combination of artificial sweeteners and a thickening agent, into a palatable vehicle significantly improves the reliability of voluntary oral dosing for bitter compounds in rats and mice, offering a refined alternative to oral gavage.

Bartlett, J., Robinson, E.2026-03-06
📄 pharmacology and toxicology

Mathematical diabetes disease progression modeling in the integrated glucose-insulin model among individuals with impaired glucose tolerance from the Finnish Diabetes Prevention Study

This study successfully extended the integrated glucose-insulin (IGI) model to quantify disease progression in individuals with impaired glucose tolerance by characterizing the annual decline in insulin secretion and sensitivity, while demonstrating that lifestyle intervention significantly slows this deterioration and improves beta-cell function.

Ghadzi, S. M. S., Karlsson, M. O., de Mello, V., Uusitupa, M., Kjellsson, M. C.2026-03-03
📄 pharmacology and toxicology

Partial Differential Equation (PDE) Based Spatial Pharmacometrics in NONMEM: Method of Lines (MOL) Implementation With AI-Assisted Model Development

This paper presents an AI-assisted workflow that streamlines the implementation of spatial Partial Differential Equation (PDE) models in NONMEM by automatically translating reaction-diffusion equations into executable Method of Lines (MOL) ODE systems, thereby overcoming the operational complexity of manual coding to enable practical, transparent, and maintainable modeling of intra-tumoral drug distribution.

LI, Y., CHENG, Y.2026-03-03
📄 pharmacology and toxicology

Beyond Student's t: A Systematic Exploration of Heavy-Tailed Residual Densities for Outlier Handling in Population PK Modeling

This study demonstrates that while common post-hoc outlier filtering and exponential-tail residual models can be unreliable due to variance masking or insufficient tail heaviness, adopting a Student's t-distribution for residual errors provides a more robust and stable approach for handling extreme outliers in population pharmacokinetic modeling.

Li, Y., Cheng, Y.2026-03-03
📄 pharmacology and toxicology

Decoupling CAR-T Expansion, Conversion, and Decay Timing: Physiologically Aligned Semi-Mechanistic Modeling with Smooth Gating and a Cauchy Likelihood Residual Model

This paper demonstrates that the Cauchy distribution serves as a computationally efficient and robust alternative to the Student's t-distribution for handling outliers and below-quantification data in CAR-T kinetics, while a semi-mechanistic model with smooth, asynchronous transition functions enhances the physiological plausibility of expansion, conversion, and decay timing.

Li, Y., Cheng, Y.2026-03-03
📄 pharmacology and toxicology

Delay Differential Equation (DDE) Modeling of CAR-T Cellular Kinetics: Application to BCMA-Targeted (Ide-cel, Orva-cel) and CD19-Targeted (Liso-cel) Therapies

This study advances CAR-T cellular kinetics modeling by integrating smooth S-shaped gating and delay differential equations to better capture expansion dynamics and biological lags, revealing that a delay in effector-to-memory conversion best fits pooled data from BCMA- and CD19-targeted therapies while highlighting distinct product-specific kinetic profiles.

Li, Y., Cheng, Y.2026-03-03
📄 pharmacology and toxicology

Process optimization and antidepression multi-target mechanisms of Total Flavonoids from Hemerocallis citrina Baroni: An integrated approach combining DES-UAE, network pharmacology, and experimental validation

This study optimized a green deep eutectic solvent extraction method for total flavonoids from *Hemerocallis citrina* and validated their multi-target antidepressant mechanism, which involves suppressing neuroinflammation and modulating the HPA axis via the PI3K-AKT pathway, through integrated network pharmacology and in vitro experiments.

Zhang, G., Gao, L., Ji, H., Zhang, T., Zhang, Y.2026-03-02
📄 pharmacology and toxicology

A General Analytic Approach to Predicting the Best Antibiotic Dosing Regimen

This paper employs mathematical modeling to demonstrate that the concavity of an antibiotic's dose-response curve is the critical factor in determining whether constant low-dose or repeated high-dose regimens are optimal for specific antibiotic-bacteria pairings, thereby challenging the universal "hit hard and hit early" approach to combat antimicrobial resistance.

Childers, L., Abel zur Wiesch, P., Conway, J. M.2026-02-26
📄 pharmacology and toxicology

Exploring the Influence of Chemical Exposures in Breast Cancer Disparities: High-Throughput Transcriptomic Analysis in Normal Breast Cells from Diverse Donors

This study utilizes high-throughput transcriptomic profiling of normal breast cells from diverse donors to demonstrate that exposure to specific environmental chemicals, particularly those with documented racial disparities, induces biological changes linked to aggressive breast cancer hallmarks, such as cell cycle dysregulation and altered cellular plasticity, at concentrations relevant to the US population.

Zhao, N., Zhao, P., Tapaswi, A., Polemi, K. M., Thong, T., Sexton, J. Z., Charles, S., Wicha, M. S., Svoboda, L., Zhou (…)2026-02-24