The present invention provides tetrahydropyrvinium (THP), derivatives thereof, benzoxazole compounds, and derivatives thereof.
Simulations Plus to Present at the LD MICRO Sixth Annual Conference
Leading Provider of Simulation and Modeling Software for Pharmaceutical Discovery and Development to Present on December 3, 2013
Simulations Plus Reports FY2013 and Fourth Quarter FY2013 Financial Results
Fiscal Year Pharmaceutical Software and Services Up 6.6%
Preoperative androgen deprivation therapy for localized prostate cancer: delayed biochemical recurrence in high-risk disease
Background: The role of preoperative ADT for localized prostate cancer is controversial; prospective assessments have yielded varying results. We sought to define a subset...
Largest Chinese CRO, WuXi PharmaTech, Purchases Multiyear ADMET Predictor License
Toxicity predictions to be used to supplement in vitro data as a service
Prediction of Valsartan Pharmacokinetics in Pediatric Population using Physiologically Based Pharmacokinetic (PBPK) Model
A method for transporter-based in vitro-in vivo extrapolation (IVIVE) was previously developed and demonstrated by predicting valsartan PK after i.v.administration [1]. The purpose of this study was to…
MembranePlus™: A Tool to Study in vitro/in vivo Transport and Drug-Drug Interaction
To develop a mechanistic mathematical model for analysis of in vitro permeability assays that accounts for all mechanisms contributing to observed apparent permeability: passive paracellular and…
Simulating the Disposition of Budesonide from Dry Powder Inhalers (DPIs) and Nebulizers
Objective: To simulate and predict the absorption and pharmacokinetics (PK) of budesonide following orally‐inhaled (OIN) i.e. respiratory administration across multiple formulations and/or devices.
Modeling Disposition of Budesonide Following Intravenous and Oral Administration in Healthy Adult Subjects
Objective: To simulate and predict the absorption and pharmacokinetics(PK) of budesonide following intravenous(IV) and oral(PO) administrations.
Population Pharmacokinetic Evaluation of Eslicarbazepine Acetate for Adjunctive Therapy in Refractory Partial Onset Seizures
Eslicarbazepine acetate (ESL) is a once-daily antiepileptic drug (AED) that is converted to eslicarbazepine, the primary active metabolite of ESL, after oral administration. A population…
A High-Throughput Screen against Pantothenate Synthetase (PanC) Identifies 3-Biphenyl-4-Cyanopyrrole-2-Carboxylic Acids as a New Class of Inhibitor with Activity against Mycobacterium tuberculosis
The enzyme pantothenate synthetase, PanC, is an attractive drug target in Mycobacterium tuberculosis. It is essential for the in vitro growth of M. tuberculosis and for survival of the bacteria...
Assessing the Risk of pH-Dependent Absorption for New Molecular Entities: A Novel in Vitro Dissolution Test, Physicochemical Analysis, and Risk Assessment Strategy
Weak base therapeutic agents can show reduced absorption or large pharmacokinetic variability when coadministered with pH-modifying agents, or in achlorhydria disease states, due to...
Purely in-silico BCS classification: Science based quality standards for the world’s drugs
BCS classification is a vital tool in the development of both generic and innovative drug products. The purpose of this work was to provisionally classify the world's top selling oral drugs...
Our Move to New Offices
“Thirty minutes until system shut-down” was the announcement over the loudspeaker that signaled the start of the move to new office space.
Simulations Plus Announces Another Quarterly Cash Dividend Increase
Cash dividend increased to $0.04 per share
Comparison of in silico models for prediction of mutagenicity
Using a dataset with more than 6000 compounds, the performance of eight quantitative structure activity relationships (QSAR) models was evaluated: ACD/Tox Suite, Absorption, Distribution...
U.S. FDA Adds Licenses of GastroPlus™ Software
Office of Clinical Pharmacology Interested in Program’s Drug-Drug Interaction Capabilities
Bayer pKa Collaboration Webinar
In this webinar, we present a new in silico multiprotic pKa prediction tool with upgraded functionality, improved prediction accuracy and significantly expanded applicability domain.
A Simplified PBPK Modeling Approach for Prediction of Pharmacokinetics of Four Primarily Renally Excreted and CYP3A Metabolized Compounds During Pregnancy
During pregnancy, a drug's pharmacokinetics may be altered and hence anticipation of potential systemic exposure changes is highly desirable.
Incorporation of Physiologically Based Pharmacokinetic Modeling in the Evaluation of Solubility Requirements for the Salt Selection Process: A Case Study Using Phenytoin
In the pharmaceutical industry, salt is commonly used to improve the oral bioavailability of poorly soluble compounds. Currently, there is a limited understanding on the solubility...