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.
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.
An in vitro – in silico approach for the formulation and characterization of ranitidine gastroretentive delivery systems
Contemporary trends in the pharmaceutical development emphasize the utility of advanced computer tools to facilitate formulation of new medicines.
Whole-body physiology-based pharmacokinetics of caspofungin for general patients, intensive care unit patients and hepatic insufficiency patients
Caspofungin is an echinocandin antifungal agent licensed as a first-line therapy for invasive candidiasis in patients with moderate to severe illness or recent exposure to azoles.
Preclinical Bioavailability Strategy for Decisions on Clinical Drug Formulation Development: An In Depth Analysis
The aim of the presented retrospective analysis was to verify whether a previously proposed Janssen Biopharmaceutical Classification System (BCS)-like decision tree, based on preclinical bioavailability data of a solution and suspension formulation...
A Preclinical Bioavailability Strategy for Decisions on Clinical Drug Formulation Development: an In Depth Analysis
The aim of the presented retrospective analysis was to verify whether a previously proposed Janssen Biopharmaceutical Classification System (BCS)-like decision tree, based on preclinical bioavailability...
Synthesis and Molecular Drug Efficacy of Indoline‐based Dihydroxy‐thiocarbamides: Inflammation Regulatory Property Unveiled over COX‐2 Inhibition, Molecular Docking, and Cytotoxicity Prospects
In this study, substituted indoline‐based dihydroxy‐carbamides (5a–i) were synthesized and evaluated as the cyclooxygenase‐2 (COX‐2) inhibitors to testify their inflammatory regulations through COX‐2 inhibition.
Does GastroPlus Support Similarity and Dissimilarity Factors of in vitro-in vivo Prediction in Biowaiver Studies? A Lower Strength Amlodipine As a Model Drug
Many generic pharmaceutical products are currently available on the market place worldwide.
β-CD-Catalyzed Multicomponent Domino Reaction: Synthesis, Characterization, in silico Molecular Docking and Biological Evaluation of pyrano[2,3-d]-pyrimidinone Derivatives
Simple and green synthetic procedures constitute an important goal in organic synthesis. The combination of multicomponent reactions (MCRs) and unconventional solvents has become a new research…
State-of-the-Art Review on Physiologically Based Pharmacokinetic Modeling in Pediatric Drug Development
Physiologically based pharmacokinetic modeling and simulation is an important tool for predicting the pharmacokinetics, pharmacodynamics, and safety of drugs in pediatrics.
Frangulosid as a Novel Hepatitis B Virus DNA Polymerase Inhibitor: A Virtual Screening Study
Hepatitis B virus (HBV) infects more than 400 million humans Worldwide. Currently, development of new anti-HBV agents is focused on inhibiting of HBV DNA polymerase activity. The natural components of…
Development of Positron Emission Tomography Radiotracers for the GABA Transporter 1
in vivo positron emission tomography (PET) imaging of the γ-aminobutyric acid (GABA) receptor complex has been accomplished using radiolabeled benzodiazepine derivatives, but development of specific…
Predicting mammalian metabolism and toxicity of pesticides in silico
Pesticides must be effective to be commercially viable but they must also be reasonably safe for those who manufacture them, apply them, or consume the food they are used to produce.
Microarray Plate Method for Estimation of Precipitation Kinetics of Celecoxib under Biorelevant Conditions and Precipitate Characterization.
Study methodologies of supersaturated state are fast developing as pharmaceutical industry is adopting supersaturating drug delivery systems (SDDS) to overcome the solubility issue of drugs.
Automated techniques in pKa determination: Low, medium and high-throughput screening methods
Drug discovery programs that generate hundreds of new molecular entities need efficient methodologies for physicochemical profiling.
The OECD Principles for (Q)SAR Models in the Context of Knowledge Discovery in Databases (KDD)
The steps followed in the knowledge discovery in databases (KDD) process are well documented and are widely used in different areas where exploration of data is used for decision making. In turn, while…
In vitro/in silico approach in the development of simvastatin-loaded self-microemulsifying drug delivery systems.
The aims of this study were to formulate simvastatin (SV)-loaded self-microemulsifying drug delivery systems (SMEDDS), and explore the potential of these drug delivery systems to improve...
Exposure-safety and efficacy response relationships and population pharmacokinetics of eslicarbazepine acetate
Eslicarbazepine acetate (ESL) is a once-daily (QD) oral antiepileptic drug (AED) for focal-onset seizures (FOS).
Pharmacokinetics and interspecies scaling of a novel, orally-bioavailable anti-cancer drug, SHetA2
SHetA2 is a small molecule drug with promising cancer prevention and therapeutic activity and a high preclinical safety profile. The study objectives were to perform interspecies scaling and...