Food is known to affect drug absorption by delaying gastric emptying time, altering gastrointestinal pH, stimulating bile flow, increasing splanchnic blood flow, or physically interacting with drugs.
Drug-likeness of linear pentamidine analogues and their impact on the hERG K+ channel – correlation with structural features
This work presents drug-likeness and the cardiotoxicity profiles of six potent pentamidine analogs 1–6 and three new compounds 7–9 as chemotherapeutics for therapy of Pneumocystis jiroveci pneumonia.
Population pharmacokinetic modeling and simulation of fremanezumab in healthy subjects and patients with migraine
Fremanezumab is a fully humanized IgG2 Δa/κ monoclonal antibody specific for calcitonin gene-related peptide developed and approved for the
In Silico Molecular Docking Study of Delafloxacin against 4MQT for the Treatment of Acute Bacterial Skin and Skin Structure Infections
Infection occurring in the skin and its associated soft tissues such as loose connective tissue and mucous membranes is known as...
Learning in silico Reactant and Bond-of-Metabolism Predictors for Human Cytochrome P450 Enzymes
Human beings are exposed to many chemicals through their routine interactions with the environment, such as food/drug consumption, household or...
Exposure-Response of Quizartinib Efficacy in Patients with Relapsed/Refractory AML
Quizartinib is a once-daily, oral, highly potent and selective FLT3 inhibitor that has shown clinical activity in patients with relapsed/refractory acute myeloid leukemia (AML) with FLT3 internal tandem duplications in...
A novel series of chlorinated plastoquinone analogs: Design, synthesis, and evaluation of anticancer activity
Herein, we report the synthesis and cytotoxic effects of novel chlorinated plastoquinone analogs (ABQ1–17) against different leukemic cells.
Feature of the week #70: Scaling of continuous covariates
Covariates are used to explain intra-individual variability of population parameters.
A randomized, double-blind, placebo-controlled phase 1b/2 study of ralimetinib, a p38 MAPK inhibitor, plus gemcitabine and carboplatin versus gemcitabine and carboplatin for women with recurrent platinum-sensitive ovarian cancer
This phase 1b/2 clinical trial (NCT01663857) evaluated the efficacy of ralimetinib in combination with gemcitabine (G) and carboplatin (C), followed by maintenance ralimetinib...
Synthesis and discovery of pyrazolo-pyridine analogs as inflammation medications through pro- and anti-inflammatory cytokine and COX-2 inhibition assessments
This article briefs about the efforts taken to synthesis, characterize and develop (E)-5-methyl-2-phenyl-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylene)..
Peroxisome proliferator-activated receptor gamma controls prostate cancer cell growth through AR-dependent and independent mechanisms
Background: Prostate cancer (PC) remains a leading cause of cancer mortality and the most successful chemopreventative and treatment strategies for PC come from targeting...
Production of Lentiviral Vectors Using Suspension Cells Grown in Serum-free Media
Lentiviral vectors are increasingly utilized in cell and gene therapy applications because they efficiently transduce target cells such as hematopoietic stem cells and T cells. Large-scale production of current Good Manufacturing Practices-grade lentiviral vectors is limited because of the adherent, serum-dependent nature of HEK293T cells used in the manufacturing process.
Prediction of pH-Dependent Drug-Drug Interactions for Basic Drugs Using Physiologically Based Biopharmaceutics Modeling: Industry Case Studies
Acid-reducing agents (ARAs) such as antacids, histamine-2 receptor antagonists, and proton pump inhibitors are widely prescribed in several disease states.
Simulations Plus Partners with Large Pharmaceutical Company to Add New Capabilities to PKPlus
Funded customization project will enhance and simplify high-throughput processing of PK/TK datasets
Feature of the week #69: Sycomore
We know that development of a good model is a long process of incremental improvements.
GastroPlus® User Group Webinar: Physiologically Based Pharmacokinetic Modelling for First‑In‑Human Predictions
This webinar provides an overview of a recent publication on physiologically based pharmacokinetic (PBPK) modeling in first in human (FIH) predictions, and this was a collaborative effort from GastroPlus® User Group members.
A practical approach to modeling the impact of amorphous drug nanoparticles on the oral absorption of poorly soluble drugs
Recently published studies have proposed that amorphous drug nanoparticles in gastrointestinal fluids may be beneficial for the absorption of poorly soluble compounds.
Feature of the week #68: Scripting Monolix in R
Sometimes you might want to use Monolix through the interface but with scripts, for example to automate a set of actions in Monolix.
Simulations Plus Annual Forum “Partner with the Good Guys” at PharmSci 360
Thank you to everyone who joined us for the Simulations Plus, Inc. Annual Forum at American Association of Pharmaceutical Scientists (AAPS) Pharmsci360 in San Antonio, TX.
Prediction of the pharmacokinetics and pharmacodynamics of topiroxostat in humans by integrating the physiologically based pharmacokinetic model with the drug-target residence time model
Topiroxostat is a selective xanthine oxidoreductase (XOR) inhibitor for the management of hyperuricemia in patients with or without gout.