An Update of the Brazilian Regulatory Bioequivalence Recommendations for Approval of Generic Topical Dermatological Drug Products

An Update of the Brazilian Regulatory Bioequivalence Recommendations for Approval of Generic Topical Dermatological Drug Products

Publication: AAPS J
Division: PBPK

This note aims to clarify the Brazilian regulatory bioequivalence recommendations for approval of generic topical dermatological drug products, since the legal framework of the "Brazilian Health Surveillance Agency" (ANVISA) is only available in Portuguese.

2015 White Paper on recent issues in bioanalysis: focus on new technologies and biomarkers (Part 1 – small molecules by LCMS)

2015 White Paper on recent issues in bioanalysis: focus on new technologies and biomarkers (Part 1 – small molecules by LCMS)

Publication: Bioanalysis
Division: Cheminformatics

The 2015 9th Workshop on Recent Issues in Bioanalysis (9th WRIB) took place in Miami, Florida with participation of over 600 professionals from pharmaceutical and biopharmaceutical companies, biotechnology companies, contract research organizations and regulatory agencies worldwide.

Assessment of in silico models for acute aquatic toxicity towards fish under REACH regulation

Assessment of in silico models for acute aquatic toxicity towards fish under REACH regulation

Publication: SAR QSAR Environ Res
Software: ADMET Predictor®

We evaluated the performance of eight QSAR in silico modelling packages (ACD/ToxSuite™, ADMET Predictor™, DEMETRA, ECOSAR, TerraQSAR™, Toxicity Estimation Software Tool, TOPKAT™ and VEGA) for...

Novel derivatives of nitro-substituted salicylic acids: Synthesis, antimicrobial activity and cytotoxicity

Novel derivatives of nitro-substituted salicylic acids: Synthesis, antimicrobial activity and cytotoxicity

Publication: Bioorg Med Chem
Software: ADMET Predictor®

Inspired by the high antituberculous activity of novel nitro-substituted derivatives and based on promising predicted ADMET properties we have synthesized a series of 33 salicylanilides containing...

Benzazaborinines as novel bioisosteric replacements of naphthalene: propranolol as an example

Benzazaborinines as novel bioisosteric replacements of naphthalene: propranolol as an example

Publication: J Med Chem
Software: ADMET Predictor®

Two benzazaborinine analogues of propranolol were synthesized and extensively profiled in vitro and in vivo.

Physical Stability of Drugs after Storage Above and Below the Glass Transition Temperature: Relationship to Glass-Forming Ability

Physical Stability of Drugs after Storage Above and Below the Glass Transition Temperature: Relationship to Glass-Forming Ability

Publication: Int J Pharm
Software: ADMET Predictor®

Amorphous materials are inherently unstable and tend to crystallize upon storage. In this study, we investigated the extent to which the physical stability and inherent crystallization tendency of drugs are related...

The evolution and future of environmental partition coefficients

The evolution and future of environmental partition coefficients

Publication: Environ Rev
Software: ADMET Predictor®

Partition or distribution coefficients (and increasingly referred to as partition ratios) are widely used in environmental science to relate the concentration of a chemical solute in one phase to that in a...

in silico Modeling of Aryl Hydrocarbon Receptor (AhR) Activation

in silico Modeling of Aryl Hydrocarbon Receptor (AhR) Activation

Conference: SETAC
Software: ADMET Predictor®
Division: PBPK

Sustained activation of AhR is the molecular initiating event (MIE) in several adverse outcome pathways (AOPs)1: Lethality to fish and bird embryos, Causing uroporphyria in birds, Producing liver tumors in...

Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation Approaches: A systematic review of published models, applications and model verification

Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation Approaches: A systematic review of published models, applications and model verification

Publication: Drug Metab Dispos
Software: GastroPlus®

Modeling and simulation of drug disposition has emerged as an important tool in drug development, clinical study design and regulatory review, and the number of physiologically based pharmacokinetic (PBPK) modeling...

Comparison of Deconvolution-Based and Absorption Modeling IVIVC for Extended Release Formulations of a BCS III Drug Development Candidate

Comparison of Deconvolution-Based and Absorption Modeling IVIVC for Extended Release Formulations of a BCS III Drug Development Candidate

Publication: AAPS J
Software: GastroPlus®

In vitro-in vivo correlations (IVIVC) are predictive mathematical models describing the relationship between dissolution and plasma concentration for a given drug compound.

Assessment of In Vivo Clinical Product Performance of a Weak Basic Drug by Integration of In Vitro Dissolution Tests and Physiologically Based Absorption Modeling

Assessment of In Vivo Clinical Product Performance of a Weak Basic Drug by Integration of In Vitro Dissolution Tests and Physiologically Based Absorption Modeling

Publication: AAPS J
Software: GastroPlus®

Effective integration of in vitro tests and absorption modeling can greatly improve our capability in understanding, comparing, and predicting in vivo performances of clinical drug products.

Using Cheminformatics in Drug Discovery

Using Cheminformatics in Drug Discovery

Publication: Handb Exp Pharmacol
Division: PBPK

This chapter illustrates how cheminformatics can be applied to designing novel compounds that are active at the primary target and have good predicted ADMET properties.

Establishment of physiologically based pharmacokinetic model of atorvastatin

Establishment of physiologically based pharmacokinetic model of atorvastatin

Authors: , Zhu L, Zhang Y, Yang J
Publication: Chinese J Hospital Pharmacy
Software: GastroPlus®

To develop aphysiologically based pharmacokinetic model of atorvastatin for predicting tissue distribution features of atorvastatin in body under healthy conditions,provide a basis for optimal...