Speical issue: Physiologically based pharmacokinetic (PBPK) modeling and simulation in drug discovery and development

Guest editors: Abdul Naveed Shaik and Ansar Ali Khan

Physiologically based pharmacokinetic (PBPK) modeling and simulation is a mechanistic based mathematical modeling technique which uses both drug based and system based properties to generate a model for predicting the absorption, distribution, metabolism and excretion (ADME) properties of a drug as well as pharmacokinetic behavior of a drug in preclinical species and humans. PBPK models can be used in different phases of drug development including the first in human (FIH) dose prediction from preclinical data, evaluation of drug safety and toxicity, as well as the prediction of drug exposure in different conditions or populations studying the effect of age, gender, ethnicity disease state etc. These models are also commonly used in the evaluation of drug-drug interaction (DDI) to provide insights into any undesirable issues of the investigative new drug (IND) with other marketed drugs.


Recent advancement in PBPK modeling and the understanding of metabolizing enzymes, drug transporters and genetic make up of different races have led to increase in the use of PBPK models in drug discovery and development. Moreover, there is an increase in the acceptability of PBPK models in drug submission package by USFDA and EMA as evident by the fact that the number of IND applications that involved the use of PBPK have increased significantly in the recent years by these regulatory agencies. It is anticipated that this trend is going to increase and more pharmaceutical companies and academicians are expected to adopt PBPK modeling in their drug development projects. In this special issue, we are calling for research articles in PBPK model development, validation and uses in different phases of drug development.


Original research articles and reviews based on the following topics are particularly welcome:

- PBPK modeling in preclinical species or human
- PBPK model for predicting FIH dose
- PBPK model to predict DDIs
- PBPK modeling strategy to predict dose, ADME properties and PK parameters
- PBPK modeling strategy to predict the effect of age, disease conditions and ethnicity on PK of a drug etc.

Beside original scientific papers, reviews, opinions or commentary articles are welcome.


The deadline for article submission is August 01, 2018. 

ISSN 1848-7718