Accelerating clinical development of new compounds demands efficient systems for evaluation and interpretation of trial results. Systematizing trial evaluation methods yields efficiency and confidence in results.
Developing PBPK for Ocular Delivery
Cooperation grant with the FDA (2014‐2019) a 4‐year funded collaborative project with the FDA Office of Generic Drugs on the development of mechanistic models for ocular delivery
Proprietary modeling platforms to support regulatory interactions: A vendor’s perspective
Proprietary modeling platforms are driving the vast majority of internal R&D activities at companies.
Assessing Effects of Sublingual BHV-0223 and Oral Riluzole on Liver Function Test Parameters
DILIsym is a mechanistic, mathematical model that has been constructed to support pharmaceutical risk assessment and decision making
Applying in silico-in vitro-in vivo Extrapolation (IS-IV-IVE) Techniques to Predict Exposure and Guide Risk Assessment
Applying IS-IV-IVE Techniques to Predict Exposure and Guide Risk Assessment
Pharmacokinetics, Pharmacodynamics, and PKPD Modeling of Curcumin in Regulating Antioxidant and Epigenetic Gene Expression in Healthy Human Volunteers
Curcumin is a major component of the spice turmeric (Curcuma longa), often used in food or as a dietary supplement. Many preclinical studies on curcumin suggest health benefits in many diseases due to its antioxidant/anti-inflammatory and epigenetic effects.
Development of a Quantitative Systems Toxicology Model of Drug-Induced Cholangiocyte Injury in DILIsym
Cholangiocyte injury accounts for a quarter of drug-induced liver injury (DILI) cases and is associated with higher rates of morbidity and mortality than hepatocellular DILI (Chalasani et al., 2015).
Mechanistic analysis and experimental verification of bicarbonate-controlled enteric coat dissolution: Potential in vivo implications
Enteric coatings have shown in vivo dissolution rates that are poorly predicted by traditional in vitro tests, with the in vivo dissolution being considerably slower than in vitro.
Game Changing: The Latest Developments in the Machine Learning/ PBPK/QST Modeling Space
Simulations Plus continues to lead in the areas of PBPK modeling to support regulatory submissions and alternatives to animal testing.
Building a Quantitative Structure-Property Relationship (QSPR) Model
Knowing the physicochemical and general biochemical properties of a compound is critical to understanding how it behaves in different biological environments and to anticipating what is likely to happen in situations where that behavior cannot be measured directly.
In silico resources to assist in the development and evaluation of physiologically-based kinetic models
Since their inception in pharmaceutical applications, physiologically-based kinetic (PBK) models are increasingly being used across a range of sectors, such as safety assessment of cosmetics, food additives, consumer goods...
Discovery and synthesis of 2-amino-1-methyl-1H-imidazol-4(5H)-ones as GPCR ligands; an approach to develop breast cancer drugs via GPCR associated PAR1 and PI3Kinase inhibition mechanism
Efforts were taken to synthesis and characterize 2-amino-1-methyl-1H-imidazole-4(5H)-one derivatives (4a-u) through a four-step reaction.
Targeting ERK1/2 protein-serine/threonine kinases in human cancers
ERK1 and ERK2 are key protein kinases that contribute to the Ras-Raf-MEK-ERK MAP kinase signalling module.
Radiosynthesis and in vivo evaluation of 11C-labeled BMS-193885 and its desmethyl analog as PET tracers for neuropeptide Y1 receptors
Neuropeptide Y (NPY) has been implicated in a wide variety of physiological processes, including feeding, learning, memory, emotion, cardiovascular homeostasis, hormone secretion, and circadian rhythms.
The DILI‐sim Initiative: Insights into Hepatotoxicity Mechanisms and Biomarker Interpretation
The drug‐induced liver injury (DILI)‐sim Initiative is a public‐private partnership involving scientists from industry, academia, and the US Food and Drug Administration (FDA).
Dissolution and Translational Modeling Strategies Toward Establishing an In Vitro-In Vivo Link-a Workshop Summary Report
This publication summarizes the proceedings of day 2 of a 3-day workshop on “Dissolution and Translational Modeling Strategies Enabling Patient-Centric Product Development."
An Integrated Analysis of Solid Form Change Impact on Solubility and Permeability: Case Study of Oral Exposure in Rats of a RORc Inhibitor
It is well acknowledged that the oral absorption of a drug can be influenced by its solubility, which is usually associated with its solid form properties.
Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies
Physiologically based pharmacokinetic modelling is well established in the pharmaceutical industry and is accepted by regulatory agencies for the prediction of drug–drug interactions.
An Integrated Analysis of Solid Form Change Impact on Solubility and Permeability: Case Study of Oral Exposure in Rats of an RAR Related Orphan Receptor C Inhibitor
It is well acknowledged that the oral absorption of a drug can be influenced by its solubility, which is usually associated with its solid form properties. G1032 is a retinoic acid–related orphan receptor inverse agonist.