Capturing the applicability of in vitro-in silico membrane transporter data in chemical risk assessment and biomedical research

Capturing the applicability of in vitro-in silico membrane transporter data in chemical risk assessment and biomedical research

Publication: Sci Total Environ
Software: GastroPlus®

Costs, scientific and ethical concerns related to animal tests for regulatory decision-makinghave stimulated the development of alternative methods.

Challenges with Multi-Objective QSAR in Drug Discovery

Challenges with Multi-Objective QSAR in Drug Discovery

Publication: Expert Opin Drug Discov
Software: ADMET Predictor®

The complexity in the drug discovery pipeline, in combination with the exponential growth of experimental and computational data, the technological achievements, and the access to large data sets, has led…

Photolytic and Photocatalytic Transformation of an Antipsychotic Drug Asenapine: Comparison of Kinetics, Identification of Transformation Products, and in silico Estimation of Their Properties

Photolytic and Photocatalytic Transformation of an Antipsychotic Drug Asenapine: Comparison of Kinetics, Identification of Transformation Products, and in silico Estimation of Their Properties

Publication: Ecotoxicol Environ Saf
Software: ADMET Predictor®

The photolytic and photocatalytic transformation of an antipsychotic drug asenapine with the use of H2O2 and TiO2 was studied. A method employing irradiation with a simulated full solar spectrum in the…

Concentration Profiles of Carvedilol: A Comparison Between In Vitro Transfer Model and Dissolution Testing

Concentration Profiles of Carvedilol: A Comparison Between In Vitro Transfer Model and Dissolution Testing

Authors: Hamed R, Kamal A
Publication: J Pharma Innovation
Software: GastroPlus®

The study aims to investigate the transfer behavior of the weakly basic BCS class II model drug carvedilol from the stomach to the small intestine and compare the concentration profiles of carvedilol that...

Design, Synthesis, and Evaluation of Novel L-phenylglycine Derivatives as Potential PPARγ Lead Compounds

Design, Synthesis, and Evaluation of Novel L-phenylglycine Derivatives as Potential PPARγ Lead Compounds

Authors: , Su X, Li H, Fan L, Li Y, Tang X, Yan J, Chen X, Chen F, , Yang D
Publication: Bioorg Med Chem
Software: ADMET Predictor®

In accordance with the structural characteristics of thiazolidinedione drugs and highly bioactive tyrosine derivatives, we tentatively designed the l-phenylglycine derivatives TM1and TM2 based on basic…

Utility of physiologically based pharmacokinetic (PBPK) modeling in oncology drug development and its accuracy: a systematic review

Utility of physiologically based pharmacokinetic (PBPK) modeling in oncology drug development and its accuracy: a systematic review

Publication: Eur J Clin Pharmacol
Software: GastroPlus®

Physiologically based pharmacokinetic (PBPK) modeling, a mathematical modeling approach which uses a pharmacokinetic model to mimick human physiology to predict drug...

Inquiry of Literature Evidence for Induced Fit of Cytochrome P450 2C9 for Warfarin, Phenprocoumon, Flurbiprofen and Clopidogrel: A Critical Review

Inquiry of Literature Evidence for Induced Fit of Cytochrome P450 2C9 for Warfarin, Phenprocoumon, Flurbiprofen and Clopidogrel: A Critical Review

Publication: SCIOL Biotechnology
Software: ADMET Predictor®

Cytochrome P450 oxygenases (CYP for short) are liver microsomal enzymes with a prosthetic hem(e) group that catalyze various types of hepatic biotransformation reactions including aromatic and...

Biopharmaceutical considerations in paediatrics with a view to the evaluation of orally administered drug products – a PEARRL review

Biopharmaceutical considerations in paediatrics with a view to the evaluation of orally administered drug products – a PEARRL review

Publication: J Pharm Pharmacol
Software: GastroPlus®

In this review, the current biopharmaceutical approaches for evaluation of oral formulation performance in paediatrics are discussed.

Population Pharmacokinetics and Exposure-Response Analyses of Eslicarbazepine Acetate Efficacy and Safety in Monotherapy of Partial-Onset Seizures.

Population Pharmacokinetics and Exposure-Response Analyses of Eslicarbazepine Acetate Efficacy and Safety in Monotherapy of Partial-Onset Seizures.

Publication: J Clin Pharmacol

Eslicarbazepine acetate (ESL) is a once-daily oral antiepileptic drug (AED) indicated for partial-onset seizures (POS). ESL pharmacokinetics (PK) and exposure-response analyses were supported by...

Ethanolic Extract of Pomegranate (Punica Granatum L) Peel: Acute Toxicity Tests on Zebrafish (Danio rerio) Embryos and its Toxicity Prediction by in silico

Ethanolic Extract of Pomegranate (Punica Granatum L) Peel: Acute Toxicity Tests on Zebrafish (Danio rerio) Embryos and its Toxicity Prediction by in silico

Publication: J Appl Pharm Sci
Software: ADMET Predictor®

Antibiotic resistance causes many serious health problems that have emerged both in developed and developing countries. One of many examples of the antibiotic problem is resistance to Mycobacterium…

Food for thought: formulating away the food effect – a PEARRL review

Food for thought: formulating away the food effect – a PEARRL review

Publication: J Pharm Pharmacol
Software: GastroPlus®

Co‐ingestion of oral dosage forms with meals can cause substantial changes in bioavailability relative to the fasted state. Food‐mediated effects on bioavailability can have significant consequences...

Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation

Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation

Authors: Hevener KE
Publication: Computational Toxicology
Software: MedChem Studio™

The discovery of molecular toxicity in a clinical drug candidate can have a significant impact on both the cost and timeline of the drug discovery process.

Development of a Clinically Relevant Dissolution Method for Metaxalone Immediate Release Formulations Based on an IVIVC Model

Development of a Clinically Relevant Dissolution Method for Metaxalone Immediate Release Formulations Based on an IVIVC Model

Publication: Pharm Res
Software: GastroPlus®

The aim of the present work was to classify metaxalone according to the Biopharmaceutics Classification System (BCS), to develop a clinically relevant dissolution method that can be used to predict...

Antibacterial and antibiofilm activities of Prangos acaulis Bornm. extract against Streptococcus mutans: an in silico and in vitro study

Antibacterial and antibiofilm activities of Prangos acaulis Bornm. extract against Streptococcus mutans: an in silico and in vitro study

Publication: J Herbmed Pharmacol

Streptococcus mutans is a principal pathogenic agent in biofilm formation on the teeth surfaces and subsequently development of dental caries and plaque.