Comparison of in silico models for prediction of mutagenicity

Comparison of in silico models for prediction of mutagenicity

Publication: J Environ Sci Health C Environ Carcinog Ecotoxicol Rev
Software: ADMET Predictor®

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...

Incorporation of Physiologically Based Pharmacokinetic Modeling in the Evaluation of Solubility Requirements for the Salt Selection Process: A Case Study Using Phenytoin

Incorporation of Physiologically Based Pharmacokinetic Modeling in the Evaluation of Solubility Requirements for the Salt Selection Process: A Case Study Using Phenytoin

Authors: Chiang PC, Wong H
Publication: AAPS J
Software: GastroPlus®

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...

Validation of quantitative structure–activity relationship models to predict water-solubility of organic compounds

Validation of quantitative structure–activity relationship models to predict water-solubility of organic compounds

Publication: Sci Total Environ
Software: ADMET Predictor®

Water-solubility is an important physicochemical property in pharmaceutical and environmental studies. We assessed the performance of five predictive computer models: ACD/PhysChem History...

Is the full potential of the Biopharmaceutics Classification System reached?

Is the full potential of the Biopharmaceutics Classification System reached?

Publication: Eur J Pharm Sci
Software: ADMET Predictor®

In this paper we analyse how the biopharmaceutics classification system (BCS) has been used to date. A survey of the literature resulted in a compilation of 242 compounds for which BCS classes were reported.

Bioisosteric approach in designing new monastrol derivatives: an investigation on their ADMET prediction using in silico derived parameters

Bioisosteric approach in designing new monastrol derivatives: an investigation on their ADMET prediction using in silico derived parameters

Publication: J Mol Graph Model
Software: ADMET Predictor®

Medicinal chemists are facing an increasing challenge to deliver safer and more effective medicines. An appropriate balance between drug-like properties such as solubility, permeability, metabolic stability...

Profiling Biopharmaceutical Deciding Properties of Absorption of Lansoprazole Enteric-Coated Tablets Using Gastrointestinal Simulation Technology

Profiling Biopharmaceutical Deciding Properties of Absorption of Lansoprazole Enteric-Coated Tablets Using Gastrointestinal Simulation Technology

Publication: Int J Pharm
Software: GastroPlus®

The aim of the present study was to correlate in vitro properties of drug formulation to its in vivo performance, and to elucidate the deciding properties of oral absorption.

Tedizolid Population Pharmacokinetics, Exposure-Response, and Target Attainment

Tedizolid Population Pharmacokinetics, Exposure-Response, and Target Attainment

Conference: ICAAC

Tedizolid phosphate is a novel antibiotic prodrug rapidly converted by phosphatases to its active moiety tedizolid after administration. Tedizolid is 4-16 fold more potent in vitro than linezolid against…

Utility of Physiologically Based Modeling and Preclinical In Vitro/In Vivo Data to Mitigate Positive Food Effect in a BCS Class 2 Compound

Utility of Physiologically Based Modeling and Preclinical In Vitro/In Vivo Data to Mitigate Positive Food Effect in a BCS Class 2 Compound

Publication: AAPS PharmSciTech
Software: GastroPlus®

Physiologically based pharmacokinetic (PBPK) modeling has become a useful tool to estimate the performance of orally administrated drugs.

Amorphous solid dispersions and nano-crystal technologies for poorly water-soluble drug delivery

Amorphous solid dispersions and nano-crystal technologies for poorly water-soluble drug delivery

Publication: Int J Pharm
Software: GastroPlus®

Poor water-solubility is a common characteristic of drug candidates in pharmaceutical development pipelines today. Various processes have been developed to increase the solubility, dissolution rate...

Oral delivery of anticancer drugs: Challenges and opportunities

Oral delivery of anticancer drugs: Challenges and opportunities

Publication: J Control Release
Software: ADMET Predictor®

The present report focuses on the various aspects of oral delivery of anticancer drugs. The significance of oral delivery in cancer therapeutics has been highlighted which principally includes...