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.
in silico screening and molecular dynamics simulations study to identify novel potent inhibitors against Mycobacterium tuberculosis DnaG primase
Tuberculosis remains a major global health threat killing millions of people.
GAP Flyer
Synchronize discovery and development ADME
Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II
Assessing the hERG liability in the early stages of drug discovery programs is important.
Physiologically Based Pharmacokinetic (PBPK) Modelling for In Vitro-In Vivo Extrapolation: Emphasis on the Use of Dissolution Data
Recently the pharmaceutical sector has witnessed a drastic rise in the advancement and incorporation of computer based technology into several unit operations.
Formulation and characterization of novel lipid-based drug delivery systems containing polymethacrylate polymers as solid carriers for sustained release of simvastatin
Formulation of lipid-based drug delivery systems is recognized as a promising strategy to increase bioavailability of simvastatin (SV).
Justification of Biowaiver and Dissolution Rate Specifications for Piroxicam Immediate Release Products Based on Physiologically Based Pharmacokinetic Modeling: An In-Depth Analysis
A quantitative prediction of human pharmacokinetic (PK) profiles has become an increasing demand for the reduction of the clinical failure of drug formulations.
Physiologically Based Pharmacokinetic Modeling of Rosuvastatin and Prediction of Transporter-Mediated Drug-Drug Interactions Involving Rifampicin
Statins have been extensively used worldwide for the treatment of cardiovascular diseases.