MITOsym®: A Mechanistic, Mathematical Model of Hepatocellular Respiration and Bioenergetics

MITOsym®: A Mechanistic, Mathematical Model of Hepatocellular Respiration and Bioenergetics

Publication: Pharm Res
Software: MITOsym®

MITOsym, a new mathematical model of hepatocellular respiration and bioenergetics, has been developed in partnership with the DILIsym® model with the purpose of translating in vitro compound screening data...

Eslicarbazepine Acetate Monotherapy: A Population Ppharmacokinetic Analysis

Eslicarbazepine Acetate Monotherapy: A Population Ppharmacokinetic Analysis

Conference: American Epilepsy Society (AES)

Eslicarbazepine acetate (ESL) is a once-daily (QD) oral antiepileptic drug (AED), approved by the US Food and Drug Administration for the treatment of partial-onset seizures (POS) as monotherapy or…

Relationship between exposure and efficacy of eslicarbazepine acetate monotherapy

Relationship between exposure and efficacy of eslicarbazepine acetate monotherapy

Conference: American Epilepsy Society (AES)

Eslicarbazepine acetate (ESL) is a once-daily, oral antiepileptic drug (AED), approved by the US Food and Drug Administration for the treatment of partialonset seizures (POS) as monotherapy or adjunctive...

Relationship Between Eslicarbazepine Exposure and Efficacy of Eslicarbazepine Acetate Adjunctive Therapy

Relationship Between Eslicarbazepine Exposure and Efficacy of Eslicarbazepine Acetate Adjunctive Therapy

Conference: American Epilepsy Society (AES)

Eslicarbazepine acetate (ESL; Aptiom®) is a novel once-daily (QD) oral antiepileptic drug, approved in then US, Canada and the EU as adjunctive treatment of partial-onset seizures (POS). ESL is extensively...

Relationship Between Eslicarbazepine Exposure and Safety Endpoints for Eslicarbazepine Acetate Adjunctive Therapy

Relationship Between Eslicarbazepine Exposure and Safety Endpoints for Eslicarbazepine Acetate Adjunctive Therapy

Conference: American Epilepsy Society (AES)

Eslicarbazepine acetate (ESL) is a once-daily (QD) oral antiepileptic drug (AED), approved in the US, Canada and the EU as adjunctive treatment of partial-onset seizures (POS). After oral administration, ESL...

Relationship Between Eslicarbazepine Exposure and Safety Endpoints for Eslicarbazepine Acetate Monotherapy

Relationship Between Eslicarbazepine Exposure and Safety Endpoints for Eslicarbazepine Acetate Monotherapy

Conference: American Epilepsy Society (AES)

In two Phase III trials (093-045 and -046) of eslicarbazepine acetate (ESL) monotherapy in patients with partial-onset seizures (POS) uncontrolled by 1−2 antiepileptic drugs (AEDs), the incidence of...

Predicting pharmacokinetics of anti-cancer drug, famitinib in human using physiologically based pharmacokinetic model

Predicting pharmacokinetics of anti-cancer drug, famitinib in human using physiologically based pharmacokinetic model

Publication: Yao Xue Xue Bao
Software: GastroPlus®

This study is to establish physiologically based pharmacokinetic (PBPK) models of famitinib in rat and monkey, and then to predict the pharmacokinetics and tissue distribution of famitinib in human based on the PBPK models.

Computational classification models for predicting the interaction of drugs with P-glycoprotein and breast cancer resistance protein

Computational classification models for predicting the interaction of drugs with P-glycoprotein and breast cancer resistance protein

Publication: SAR QSAR Environ Res
Software: ADMET Predictor®

P-glycoprotein (P-gp/ABCB1) and breast cancer resistance protein (BCRP/ABCG2) are two members of the adenosine triphosphate (ATP) binding cassette (ABC) family of transporters which...

Novel Orally Swallowable IntelliCap(®) Device to Quantify Regional Drug Absorption in Human GI Tract Using Diltiazem as Model Drug

Novel Orally Swallowable IntelliCap(®) Device to Quantify Regional Drug Absorption in Human GI Tract Using Diltiazem as Model Drug

Publication: AAPS PharmSciTech
Software: GastroPlus®

Typically, colonic absorption of a drug is mandatory for a sustained release formulation to hold the drug's plasma level for more than 12 or 24 h above the minimum therapeutic plasma concentration (efficacy).

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology to Improve in silico pKa Prediction

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology to Improve in silico pKa Prediction

Publication: J Chem Inf Model
Software: ADMET Predictor®

In a unique collaboration between a software company and a pharmaceutical company, we were able to develop a new in silico pKa prediction tool with outstanding prediction quality.

A combination of pharmacophore modeling, molecular docking, and virtual screening for P2Y12 receptor antagonists from Chinese herbs

A combination of pharmacophore modeling, molecular docking, and virtual screening for P2Y12 receptor antagonists from Chinese herbs

Publication: Canadian J Chem
Software: ADMET Predictor®

P2Y12, a member of the G-protein-coupled receptors, is associated with abnormal platelet aggregation, a condition that contributes to thrombus formation.

Prediction and Comparison of Drug likeliness properties of Primaquine and its structural analogues using In-Silico ADME and Toxicity Prediction Tools

Prediction and Comparison of Drug likeliness properties of Primaquine and its structural analogues using In-Silico ADME and Toxicity Prediction Tools

Publication: J Adv Bioinf Appl Res
Software: ADMET Predictor®

Five primaquine (PQ) analogues have been isolated by peroxydisulfate oxidation and were tested for antimalarial activity against Plasmodium yoelli infected mice.

Three-Dimensional Quantitative Structure-Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Three-Dimensional Quantitative Structure-Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis

Publication: J Pharm Sci
Software: ADMET Predictor®

The pregnane X receptor [PXR (NR1I2)] induces the expression of xenobiotic metabolic genes and transporter genes. In this study, we aimed to establish a computational method for...