This new release of ADMET Predictor includes significant enhancements to the recently introduced HTPK Simulation Module, as well as to the MedChem Studio™ module and ADMET Modeler™
Development of a Clinically Relevant Dissolution Method for Metaxalone Immediate Release Formulations Based on an IVIVC Model
The aim of the present work was to classify metaxalone according to the Biopharmaceutics Classification System (BCS), to develop a clinically relevant dissolution method that can be used to predict...
The India GastroPlus™ User Group Webinar: Using In Silico Inputs to Inform GastroPlus Models
Significant enhancements have been made to the HTPK Simulation, MedChem Studio™, and ADMET Modeler™ modules in ADMET Predictor 9.
Brief overview of solubility methods: Recent trends in equilibrium solubility measurement and predictive models
Solubility is a crucial physicochemical parameter affecting the whole process of drug discovery and development.
Pathway-based predictive approaches for non-animal assessment of acute inhalation toxicity
New approaches are needed to assess the effects of inhaled substances on human health.
Antibacterial and antibiofilm activities of Prangos acaulis Bornm. extract against Streptococcus mutans: an in silico and in vitro study
Streptococcus mutans is a principal pathogenic agent in biofilm formation on the teeth surfaces and subsequently development of dental caries and plaque.
Advanced Chemometric Modeling Approaches for the Design of Multitarget Drugs Against Neurodegenerative Diseases
Neurodegenerative diseases (ND), a major worldwide health problem, present a multifactorial nature.
Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
A series of squaramide-based hydroxamic acids were designed, synthesized and evaluated against human HDAC enzyme.
In silico approach in reveal traditional medicine plants pharmacological material basis
In recent years, studies of traditional medicinal plants have gradually increased worldwide because the natural sources and variety of such plants allow them to complement modern pharmacological approaches.
Exploring gastric emptying rate in minipigs: Effect of food type and pre-dosing of metoclopramide
The present study investigated the gastric emptying rate in Göttingen minipigs pre- and post-prandial and evaluated the effect of metoclopramide on the same parameter, using paracetamol as an absorption marker.
THU0549 Absence of Association Between Drug Exposure and Infection in Patients With Polyarticular-Course Juvenile Idiopathic Arthritis and Inadequate Response to Biologic or Non-Biologic DMARDS Treated With SC and IV Abatacep
Background Infections are the most common expected AEs linked to biologic (b) DMARDs in paediatric patients (pts) with juvenile idiopathic arthritis (JIA). Blood concentrations achieved with bDMARDs vary greatly between...
Absence of Association Between Drug Exposure and Infection in Patients With Polyarticular-Course Juvenile Idiopathic Arthritis and Inadequate Response to Biologic or Non-Biologic DMARDs Treated With SC and IV Abatacept
Compared with adults, children are more susceptible to infections. In paediatric patients with juvenile idiopathic arthritis (JIA), infections are the most commonly reported AEs linked to biologic (b)DMARDs.
High-Throughput Pharmacokinetics for Drug Discovery
The high-throughput implementation of PBPK simulation in ADMET Predictor yields results in good agreement with analogous analyses in GastroPlus. HTPK simulations run using purely in silico property…
Food Effect Projections via Physiologically Based Pharmacokinetic Modeling: Predictive Case Studies
Food can alter the absorption of orally administered drugs. Biopharmaceutics physiologically based pharmacokinetic (PBPK) modeling offers the possibility to simulate a compound's pharmacokinetics under fasted or fed states.
A Modified In Situ Method to Determine Release from a Complex Drug Carrier in Particle-Rich Suspensions
Effective and compound-sparing methods to evaluate promising drug delivery systems are a prerequisite for successful selection of formulations in early development stages. The aim of the study was to develop…
Physiologically Based Absorption Modeling of Salts of Weak Bases Based on Data in Hypochlorhydric and Achlorhydric Biorelevant Media.
Physiologically based absorption modeling has been attracting increased attention to study the interactions of weakly basic drug compounds with acid-reducing agents like proton-pump inhibitors and H2 blockers.
ADMET Predictor 9™ Release Webinar: Streamline Your Drug Design with ADMET Predictor 9!
We are pleased to announce the release of ADMET Predictor™ 9! Significant enhancements have been made to the HTPK Simulation, MedChem Studio™, and ADMET Modeler™ modules.
New Omic and Network Paradigms for Deep Understanding of Therapeutic Mechanisms for Fangji of Traditional Chinese Medicine
Combination therapy with multi-drug regimen as an integrated intervention of several pharmacological compounds that interact with multiple targets, rather than monotherapy using a single compound that…
Improving Interpretation of New and Old Serum Biomarkers of Drug-Induced Liver Injury Through Mechanistic Modeling
The study by Mason et al. in this issue used mechanistic modeling and simulation to address how both the dose of acetaminophen consumed and the time since ingestion can be estimated from biomarkers measured in a single serum sample in mice.