An Update to the DILI-sim Initiative and the DILIsym Tool
Identifying Right Target, Right Drug, Right Dose and Right Patient
Design, synthesis and evaluation of new classes of nonquaternary reactivators for acetylcholinesterase inhibited by organophosphates
A new series of nonquaternary conjugates for reactivation of both nerve agents and pesticides inhibited hAChE were described in this paper.
Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6
Histone deacetylase (HDAC) 6 plays a role in oncogenic transformation and cancer metastasis via tubulin deacetylation, making it a critical target for anticancer drug design.
Xanthenone-based hydrazones as potent α-glucosidase inhibitors: Synthesis, solid state self-assembly and in silico studies
Xanthenone based hydrazone derivatives (5a–n) have been synthesized as potential α-glucosidase inhibitors.
2018 White Paper on Recent Issues in Bioanalysis: ‘A global bioanalytical community perspective on last decade of incurred samples reanalysis (ISR)’ (Part 1 – small molecule regulated bioanalysis, small molecule biomarkers, peptides & oligonucleotide bioanalysis)
The 2018 12th Workshop on Recent Issues in Bioanalysis (12th WRIB) took place in Philadelphia, PA, USA on April 9-13, 2018 with an attendance of over 900 representatives...
2018 White Paper on Recent Issues in Bioanalysis: focus on immunogenicity assays by hybrid LBA/LCMS and regulatory feedback (Part 2 – PK, PD & ADA assays by hybrid LBA/LCMS & regulatory agencies’ inputs on bioanalysis, biomarkers and immunogenicity)
The 2018 12th Workshop on Recent Issues in Bioanalysis took place in Philadelphia, PA, USA on April 9-13, 2018 with an attendance of over 900 representatives from...
PBPK and its Virtual Populations: the Impact of Physiology on Pediatric Pharmacokinetic Predictions of Tramadol
In pediatric PBPK models, age-related changes in the body are known to occur.
Evaluation of blood-brain barrier penetration and examination of binding to human serum albumin of 7-O-arylpiperazinylcoumarins as potential antipsychotic agents
The delivery of drugs to the brain is complicated by the multiple factors including low blood–brain barrier (BBB) passive permeability, active BBB efflux systems, and plasma protein binding.
Use of a Quantitative Systems Pharmacology (QSP) Model to Predict Liver Toxicity in Simulated Populations
DILIsym is a mechanistic, mathematical model that has been constructed to support pharmaceutical risk assessment and decision making.
8-Hydroxy-2-(1H-1,2,3-triazol-1-yl)-1,4-naphtoquinone derivatives inhibited P2X7 Receptor-Induced dye uptake into murine Macrophages
Extracellular adenosine 5′-triphosphate (ATP) triggers the P2X7 receptor (P2X7R) ionic channel to stimulate the release of the interleukin-IL-1β cytokine into macrophages.
Computational Methods and Tools to Predict Cytochrome P450 Metabolism for Drug Discovery
In this review we present important, recent developments in the computational prediction of cytochrome P450 (CYP) metabolism in the context of drug discovery.
Physiologically based absorption modeling to predict bioequivalence of controlled release and immediate release oral products
Physiologically based absorption modeling was conducted to predict bioequivalence (BE) for immediate release (IR) and controlled release (CR) formulations.
The Optimization Module in GastroPlus®
This tutorial discusses the Optimization module in GastroPlus that allows one to optimize simulation model parameters such as initial dose, Vmax, enzyme expression levels, and many others, in order to...
Synthesis and Biological Evaluation of Novel Triple-Modified Colchicine Derivatives as Potent Tubulin-Targeting Anticancer Agents
Specific modifications of colchicine followed by synthesis of its analogues have been tested in vitro with the objective of lowering colchicine toxicity.
Tools and resources for metabolomics research community: A 2017–2018 update
The scale at which MS‐ and NMR‐based platforms generate metabolomics datasets for both research, core, and clinical facilities to address challenges in the various sciences—ranging from biomedical to agricultural—is underappreciated.
Simulations Plus Reports FY2018 and Fourth Quarter FY2018 Financial Results
Simulations Plus today reported results for the 4th quarter and fiscal year 2018. FY18 revenues increased 23%; earnings per share increased 51.4%.
Full Fiscal Year Pharmaceutical Software and Services Revenues Up 22.9%; Earnings per share of $0.50, up 51.4% over prior year
Bioequivalence comparison of pediatric Dasatinib formulations and elucidation of absorption mechanisms through integrated PBPK modeling
Sprycel® (Dasatinib) is a BCS II weakly basic drug that exhibits strong pH dependent solubility.