Advances in Inhaled Technologies: Understanding the Therapeutic Challenge, Predicting Clinical Performance, and Designing the Optimal Inhaled Product

Advances in Inhaled Technologies: Understanding the Therapeutic Challenge, Predicting Clinical Performance, and Designing the Optimal Inhaled Product

Publication: Clin Pharmacol
Division: PBPK

Inhaled medicines are designed mainly to provide safe and efficacious treatment of respiratory diseases, offering the potential advantages of targeted drug delivery such as reduced onset time and increased therapeutic ratio. However, as a flipside of targeted drug delivery, drug levels in the relevant effect compartment cannot be easily assessed.

A mechanistic model of drug-induced liver injury AIDS the interpretation of elevated liver transaminase levels in a phase I clinical trial

A mechanistic model of drug-induced liver injury AIDS the interpretation of elevated liver transaminase levels in a phase I clinical trial

Publication: CPT Pharmacometrics Syst Pharmacol
Software: DILIsym®

Entolimod (CBLB502) is a Toll-like receptor 5 agonist in development as a single-dose countermeasure against total body irradiation.

Differential effects of methoxy group on the interaction of curcuminoids with two major ligand binding sites of human serum albumin

Differential effects of methoxy group on the interaction of curcuminoids with two major ligand binding sites of human serum albumin

Publication: PLoS One
Software: ADMET Predictor®

Curcuminoids are a group of compounds with a similar chemical backbone structure but containing different numbers of methoxy groups that have therapeutic potential due to...

Use of Preclinical Dog Studies and Absorption Modeling to Facilitate Late Stage Formulation Bridging for a BCS II Drug Candidate

Use of Preclinical Dog Studies and Absorption Modeling to Facilitate Late Stage Formulation Bridging for a BCS II Drug Candidate

Authors: Kesisoglou F
Publication: AAPS PharmSciTech
Software: GastroPlus®

Formulation changes are common during drug development either due to clinical or manufacturing considerations. These changes especially at later stages of drug development oftentimes raise questions...

3D QSAR and pharmacophore study of curcuminoids and curcumin analogs: Interaction with thioredoxin reductase

3D QSAR and pharmacophore study of curcuminoids and curcumin analogs: Interaction with thioredoxin reductase

Publication: Interdiscip Sci
Software: ADMET Predictor®

Curcumin is the yellow pigment of Curcuma longa that irreversibly inhibits the activity of thioredoxin reductase (TrxR) and forms adduct.

Preoperative androgen deprivation therapy for localized prostate cancer: delayed biochemical recurrence in high-risk disease

Preoperative androgen deprivation therapy for localized prostate cancer: delayed biochemical recurrence in high-risk disease

Publication: Clin Genitourin Cancer

Background: The role of preoperative ADT for localized prostate cancer is controversial; prospective assessments have yielded varying results. We sought to define a subset...

Assessing the Risk of pH-Dependent Absorption for New Molecular Entities: A Novel in Vitro Dissolution Test, Physicochemical Analysis, and Risk Assessment Strategy

Assessing the Risk of pH-Dependent Absorption for New Molecular Entities: A Novel in Vitro Dissolution Test, Physicochemical Analysis, and Risk Assessment Strategy

Publication: Mol Pharm
Software: GastroPlus®

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

Purely in-silico BCS classification: Science based quality standards for the world’s drugs

Publication: Mol Pharm
Software: ADMET Predictor®

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...

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...