Benzodiazepines are a class of compounds that were initially developed for medicinal purposes.
Biopredictive in vitro testing methods to assess intestinal drug absorption from supersaturating dosage forms
The discovery pipelines in pharmaceutical companies are highly populated with poorly soluble compounds, demanding for an appropriate solution to overcome this problem.
Food ingredient safety evaluation: Utility and relevance of toxicokinetic methods
The use of toxicokinetic (TK) data is becoming more prevalent in the evaluation of food ingredient safety as more TK information is being incorporated in safety data packages.
Future technologies for monitoring HIV drug resistance and cure
Sensitive, scalable and affordable assays are critically needed for monitoring the success of interventions for preventing, treating and attempting to cure HIV infection.
Prediction of pharmacokinetic drug-drug interactions causing atorvastatin-induced rhabdomyolysis using physiologically based pharmacokinetic modelling
Atorvastatin and its lactone form metabolite are reported to be associated with statin-induced myopathy (SIM) such as myalgia and life-threatening rhabdomyolysis.
The solubility-absorption trade-off in using solubilizers: mechanistic PK simulations of progesterone with explicit cyclodextrin
Cyclodextrins improve solubility of poorly soluble lipophilic drugs due to 1:1 complexation in their nonpolar interior cavity.
Design, synthesis, and biological activity of Plastoquinone analogs as a new class of anticancer agents
In this paper, based on Plastoquinone (PQ) analogs possessing substituted aniline containing alkoxy group(s), new 2,3-dimethyl-5-amino-1,4-benzoquinones (PQ1-15) were designed and synthesized in either two steps or one-pot reaction.
Phytochemicals as Lead Compounds for New Drug Discovery
Phytochemicals as Lead Compounds for New Drug Discovery presents complete coverage of the recent advances in the discovery of phytochemicals from medicinal plants as models to the development of new drugs and chemical entities.
Grill the GastroPlus® Gurus Webinar
This webinar with a panel of experienced GastroPlus users aims at providing users, both new and more experienced, with tips and tricks to improve their use of GastroPlus.
Utilizing DILIsym, a QST Platform, to Extract More from Your Data to Support Decisions
Recently Completed Clinical Trial Indicates that DILIsym Backup Compound Predictions Were Correct
Simulations Plus Partners with Clinical-Stage Biotech Company to Develop Novel Dosing Models
New intra-articular injection route will expand the suite of drug delivery options available in GastroPlus®
Trehalose synthesis inhibitor: A molecular in silico drug design
Infectious diseases are serious public health problems, affecting a large portion of the world's population.
Population Pharmacokinetic and Pharmacodynamic Analysis of GLPG1690, an Autotaxin Inhibitor, in Healthy Volunteers and Patients with Idiopathic Pulmonary Fibrosis
GLPG1690 is an autotaxin inhibitor in development for the treatment of idiopathic pulmonary fibrosis.
Population Pharmacokinetics of Clofarabine as Part of Pretransplantation Conditioning in Pediatric Subjects before Hematopoietic Cell Transplantation
The primary objective of this work was to characterize the pharmacokinetics (PK) of systemic clofarabine (clo-fara) in pediatric allogeneic hematopoietic cell transplantation (HCT) recipients
Selective Regulation of 5-HT1B Serotonin Receptor Expression in the Striatum by Dopamine Depletion and Repeated L-DOPA Treatment: Relationship to L-DOPA-Induced Dyskinesias
Dopamine and serotonin in the basal ganglia interact in a bidirectional manner. On the one hand, serotonin (5-HT) receptors regulate the effects of dopamine agonists on...
Computer-Aided Drug Design of DNA Repair Inhibitors Targeting the ERCC1-XPF Endonuclease
Computational methods are nowadays essential tools employed in the field of drug design.
Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24
The impact of Ebola virus disease (EVD) is devastating with concomitant high fatalities.
New approach to regression uncertainty analysis and applications to drug design
When can you trust a decision/prediction from a machine learning model?
The ADME profile of the fungicide tricyclazole in rodent via the oral route: A critical review for human health safety assessment
Herein, we publish data from regulatory studies investigating the oral ADME (absorption, distribution, metabolism, excretion) of tricyclazole in vivo, in silico and in vitro.
Estimation of nizatidine gastric nitrosatability and product toxicity via an integrated approach combining HILIC, in silico toxicology, and molecular docking
The liability of the H2-receptor antagonist nizatidine (NZ) to nitrosation in simulated gastric juice (SGJ) and under WHO-suggested conditions was investigated for the first time.