Throughout the drug discovery process, companies need to eliminate poor drug candidates early to avoid costly studies and dead ends.
GastroPlus® Tutorial: Getting Started with GastroPlus – A Software Introduction
Maxime LeMerdy introduces GastroPlus 9.7 interface and walks you through each tab.
Feature of the week #80: Understanding and using the Monolix ‘proposal’
Monolix is able to use the individual parameters of the current run to pre-test several covariate, correlation and error models
Prediction of pH-Dependent Drug-Drug Interactions for Basic Drugs using PBBM Modeling: Industry Case Studies
Acid-reducing agents (ARA) such as antacids, histamine H2-receptor antagonists, and proton pump inhibitors are widely prescribed in several disease states.
Simulation of the Pharmacokinetics of Oseltamivir and Its Active Metabolite in Normal Populations and Patients with Hepatic Cirrhosis Using Physiologically Based Pharmacokinetic Modeling
Oseltamivir is a neuraminidase inhibitor widely used to treat and prevent influenza A and B infections, although its safety and pharmacokinetics have not been evaluated in patients with severe hepatic impairment.
Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies
Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes that are responsible for the cleavage of the initiator...
In Vitro, In Silico, and In Vivo Assessments of Pharmacokinetic Properties of ZM241385
Parkinson's disease is one of the most common neurodegenerative diseases. Adenosine regulates the response to other neurotransmitters in the brain regions related to motor function.
Molecular docking and in-silico study of natural antagonists of ERalpha receptor: Potential candidates against breast cancer
Breast cancer is affecting the women in both developing and non-developing countries in a dangerous ratio. Estrogen receptor...
Design, synthesis, and biological evaluation of novel 4H-chromen-4-one derivatives as antituberculosis agents against multidrug-resistant tuberculosis
A series of 4H-chromen-4-one derivatives obtained by scaffold morphing of the benzofuran compound, TAM16...
User guide for the discovery of potential drugs via protein structure prediction and ligand docking simulation
Due to accumulating protein structure information and advances in computational methodologies, it has now become possible...
Feature of the week #79: Understanding and using the statistical tests in Monolix
The statistical tests complement the diagnostic plots to guide the user in the development of the statistical model.
The role of small molecule Flt3 receptor protein-tyrosine kinase inhibitors in the treatment of Flt3-positive acute myelogenous leukemias
Flt3 is expressed by early myeloid and lymphoid progenitor cells and it regulates the proliferation and differentiation of hematopoietic cells.
Development of a Physiologically Based Pharmacokinetic Model for Prediction of Pramipexole Pharmacokinetics in Parkinson’s Disease Patients With Renal Impairment
Pramipexole is the first‐line medication recommended by the British National Institute for Health and Care Excellence.
Annual Shareholders’ Meeting
Our mission is to improve the productivity of science-based research & development enterprises by delivering innovative modeling and simulation software and insightful consulting services
Physiologically Based Pharmacokinetic Modeling and Tissue Distribution Characteristics of SHetA2 in Tumor-Bearing Mice
The orally available novel small molecule SHetA2 is the lead sulfur-containing heteroarotinoid that selectively inhibits cancer cells over normal cells, and is currently under clinical development for...
Medicinal importance of Ferula asafetida oligo- gum resins against infective diseases
Ferula foetida oligo-gum resin containing phytochemicals with anti-viral properties.
Feature of the week #78: Creating a custom theme for Monolix plots
You can create one or several custom themes and apply it to all Monolix plots when appropriate, and even share...
New insights into the vancomycin‐induced nephrotoxicity using in vitro metabolomics combined with physiologically based pharmacokinetic modeling
Vancomycin is a first‐line treatment for invasive infections caused by multidrug‐resistant gram‐positive bacteria.
Multifunctional 6-fluoro-3-[3-(pyrrolidin-1-yl)propyl]-1,2-benzoxazoles targeting behavioral and psychological symptoms of dementia (BPSD)
Patients suffering from dementia experience cognitive deficits and 90% of them show non-cognitive behavioral and psychological symptoms of dementia (BPSD).