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.
Discovery, synthesis and molecular corroborations of medicinally important novel pyrazoles; drug efficacy determinations through in silico, in vitro and cytotoxicity validations
As the global need for drugs getting increases, the necessity of novel and effective drugs are the need of the day.
Analyzing the Mechanisms Behind Macrolide Antibiotic-Induced Liver Injury Using Quantitative Systems Toxicology Modeling
The macrolide class of antibiotics are frequently prescribed antibiotics for otherwise drug-resistant bacterial infections. Several macrolide antibiotics are currently available for clinical use. Erythromycin is the first generation macrolide; it was isolated from the bacteria Saccharopolyspora erythraea in the 1950s.
Revisiting fish toxicity of active pharmaceutical ingredients: Mechanistic insights from integrated ligand-/structure-based assessments on acetylcholinesterase
The release of active pharmaceutical ingredients (APIs) into the environment is of great concern for aquatic ecosystem as many of these chemicals are designed to exert biological activity.
Development, validation and integration of in silico models to identify androgen active chemicals
Humans are exposed to large numbers of environmental chemicals, some of which potentially interfere with the endocrine system.
MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof
Epithelia form barriers that are essential to life.
Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain Inhibitor Pyrvinium
Pyrvinium was identified as the first small molecule inhibitor of the androgen receptor (AR) DNA-binding domain (DBD). It was also among the first small molecules shown to...
Model-Informed Drug Discovery and Development: Current Industry Good Practice and Regulatory Expectations and Future Perspectives
Good practices around model-informed drug discovery and development (MID3) aim to improve the implementation, standardization, and
Metabolization of pharmaceuticals by plants after uptake from water and soil: A review
Residues of pharmaceuticals are ubiquitous in the environment, due to the increased use of drugs for treating humans and animals.
Machine Learning Models for the Prediction of Chemotherapy-Induced Peripheral Neuropathy
Chemotherapy-induced peripheral neuropathy (CIPN) is a common adverse side effect of cancer chemotherapy that can be life debilitating and cause extreme pain.
DILIsym 8A New Features for Predicting & Understand Drug-Induced Liver Injury
So how can DILIsym help my organization? Predict DILI liabilities beforehand and save $$$, Choose the lead candidate most likely to succeed from a DILI standpoint, Communicate with regulators on safety issues with information they have requested from others numerous times and from a platform they license (FDA) & keep patients safer.
The in vivo predictive dissolution for immediate release dosage of donepezil and danazol, BCS class IIc drugs, with the GIS and the USP II with biphasic dissolution apparatus
The formulation developments and the in vivo assessment of Biopharmaceutical Classification System (BCS) class II drugs are challenging due to their low solubility and high permeability in the human gastrointestinal (GI) tract.