Nilotinib is a highly potent and selective bcr-abl tyrosine kinase inhibitor used for the treatment of patients who are in the chronic and accelerated phases of...
ADMET Design Suite™ Webinar
This webinar provides an introduction to an in silico lead optimization process that begins with high throughput screening data via class generation, R-group analysis, scaffold hopping, activity cliff detection...
Simulation of the pharmacokinetics of bisoprolol in healthy adults and patients with impaired renal function using whole-body physiologically based pharmacokinetic modeling
To develop and evaluate a whole-body physiologically based pharmacokinetic (WB-PBPK) model of bisoprolol and to simulate its exposure and disposition...
Design, Synthesis and Testing of Novel Antimalarial Drug Leads Using in silico Tools
The World Health Organization has estimated that over 200 million people suffered from malaria in 2010 and that over 600,000 people died from it that year [1]. Growing problems with resistance to existing anti…
PBPK Model Simulation of CYP3A4 and Transporter Mediated Drug-drug Interactions Involving Erythromycin
Erythromycin, a macrolide antibiotic, is cleared primarily by cytochrome P450-3A4 metabolism to the N-demethylated metabolite and C-formaldehyde. Its uptake into hepatocytes is mediated by organic…
Novel Antimalarial Drug Candidates Generated in silico by Analysis of Public HTS Data
Carry out a prospective experiment to demonstrate the ability of in silico drug design tools to design new lead drug candidates from phenotypic screening data.
Prediction of Amoxicillin Pharmacokinetics in Populations with Altered Renal Function
Purpose of the study was to predict amoxicillin pharmacokinetics in populations with altered renal function to further validate an absorption/PBPK model for amoxicillin.
Physiologically Based Pharmacokinetic (PBPK) Modeling of Amoxicillin Absorption and Pharmacokinetics
Purpose of the study was to develop a PBPK model for amoxicillin incorporating saturable transport processes affecting the drug’s absorption and distribution.
PBPK Modeling of Erythromycin Absorption and Disposition Mediated by Transporters in Humans
Erythromycin, a macrolide antibiotic, is cleared primarily by cytochrome P450-3A4 metabolism. Its uptake into enterocytes and hepatocytes is mediated by organic anion transporter (OAT) and organic anion…
Simulations Plus Joins European Consortium on Development of Oral Bioavailability Tools (OrBiTo)
Simulations Plus is the only non-European company invited to consortium
Pharmacokinetics and Pharmacodynamics of Phase II Drug Metabolizing / Antioxidant Enzymes Gene Response by Anti-cancer Agent Sulforaphane in Rat Lymphocytes
This study assesses the pharmacokinetics (PK) and pharmacodynamics (PD) of Nrf2-mediated increased expression of phase II drug metabolizing enzymes (DME)...
In vitro to in vivo extrapolation and species response comparisons for drug-induced liver injury (DILI) using DILIsym™: a mechanistic, mathematical model of DILI.
Drug-induced liver injury (DILI) is not only a major concern for all patients requiring drug therapy, but also for the pharmaceutical industry.
There’s Room For More Than One Genius
Carole King, a songwriter and singer who has 4 Grammy Awards, was interviewed last spring by Terry Gross on the nightly NPR program, Fresh Air.
Excellence Is a Team Sport
Scientific excellence–asking the right question, then designing and conducting a valid study that answers that question and influences future research–is widely accepted as a benchmark for success in research. However, excellence of a more complicated sort is required in Pharma research. For example, excellence in pharmacometric modeling and simulation has to encompass 3 types of excellence: strategic, operational, and technical.
Inventors and innovation
Elmer Sperry (1860-1930) is remembered as the father of cybernetic (feedback control) engineering. He was the author of more than 350 patents in a wide range of fields, and he developed gyro-controlled steering and fire control systems used on Allied warships during World War I and World War II. He was among the first of the independent inventors of the early 20th century to be elected to the National Academy of Sciences (1).
The problem with gaps.
After writing about gap analysis for the Pharma of the Future? blog, I went in search of an example that would illustrate the problem of defining “gaps” and stumbled on a piece called Reading and Guilty Pleasure in the New York Times. The writer, Gary Gutting, describes 2 assumptions underlying the concept of a guilty pleasure: some books are objectively inferior to others, and “better” books are generally not very enjoyable. So, are “better” books actually better? Gutting says that in discussions of this sort, people will often adopt a relativist position:
Mind the gap
I was talking with a Program Director the other day about an upcoming regulatory filing. She was rightly proud of the clinical pharmacology work that had been completed, but she was also anxious about possible holes in the package. As we talked, I thought about how gap analyses have changed over the years, particularly since modeling and simulation results have come to play a larger part in the Clinical Pharmacology Summary in NDA submissions.
Effects of parabens on adipocyte differentiation
Parabens are a group of alkyl esters of p-hydroxybenzoic acid that include methylparaben, ethylparaben, propylparaben, butylparaben, and benzylparaben.
Simulations Plus Reports Preliminary Revenues for Fourth Fiscal Quarter and FY2012
Pharmaceutical Software and Services Revenues Increase 14.9% for Record 4th Quarter, up 8.1% for the Record Fiscal Year