‘Deep learning’ is causing rapid technological changes in many fields of science, and conjectures about its potential for...
Feature of the week #81: Efficient alternative implementation for common equations including delays
Delayed differential equations (DDEs) can be implemented in Mlxtran language using the "delay" function.
In vitro – In vivo correlation in the development of oral drug formulation: A screenshot of the last two decades
In vitro – in vivo correlation (IVIVC) allows prediction of the in vivo performance of a pharmaceutical product based on its in vitro...
Ensemble modeling highlights importance of understanding parasite-host behavior in preclinical antimalarial drug development
Emerging drug resistance and high-attrition rates in early and late stage drug development necessitate accelerated development of antimalarial compounds.
March 2020 GastroPlus Newsletter
Since last month’s newsletter, the world has become Coronavirus conscious.
Understanding the Oral Absorption of Irbesartan Using Biorelevant Dissolution Testing and PBPK Modeling
Poorly soluble weak bases form a significant proportion of the drugs available in the market thereby making it imperative to...
Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer’s Disease
Imidazoline I2 receptors (I2-IR), widely distributed in the CNS and altered in patients that suffer from neurodegenerative disorders ...
5 Reasons to Choose Simulations Plus Services for your Drug Discovery and Development Needs
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.