IMI – Oral biopharmaceutics tools project – Evaluation of bottom‐up PBPK prediction success part 3: Identifying gaps in system parameters by analysing In Silico performance across different compound classes

Amitava Mitra | Jian Lin | Mai Anh Nguyen | Tycho Heimbach | Xavier Pepin | Leon Aarons | Maria Hammarberg | Hans Lennernäs | Alison Margolskee | Michael B. Bolger | Bertil Abrahamsson | Jan Bevernage | Eva Karlsson | Mark McAllister | Mohammed Yasin | Aleksandra Galetin | Manthena Varma | Viera Lukacova | Johanna Laru | Jennifer Dressman | Edmund Kostewicz | Christer Tannergren | Chester Costales | Sweta Modi | Helena Thörn | Peter Langguth | L. Aarons | A. Galetin | H. Lennernäs | V. Lukacova | J. Dressman | M. Bolger | B. Abrahamsson | O. Nicolas | T. Heimbach | A. Darwich | M. Varma | A. Rostami-Hodjegan | Helena Thörn | M. Yasin | P. Langguth | A. Mitra | E. Kostewicz | J. Biewenga | Chester Costales | Sara Carlert | X. Pepin | Jan Bevernage | M. McAllister | Charles J. Rotter | Handan He | Sara Carlert | Florent Mazuir | Charles Rotter | J. Malkki | Sergej Ramusovic | Jian Lin | Simone Hansmann | Alison Margolskee | Maria Hammarberg | C. Hilgendorf | P. Johansson | Eva M. Karlsson | Dónal Murphy | C. Tannergren | Florent Mazuir | Christine R. Xu | S. Pathak | T. Korjamo | J. Laru | Sari Pappinen | Johanna Tuunainen | Han-Dan He | Fan Wu | C. Hoft | Yan Pang | E. Huehn | James M Mullin | K. Szeto | Sweta Modi | Mei Wong | A. van Peer | R. Lloyd | C. Shardlow | Irina Mishenzon | M. Nguyen | Jonathan Brown | Shriram M. Pathak | Constanze Hilgendorf | Pernilla Johansson | Dónal Murphy | Olivier Nicolas | Sergej Ramusovic | Christine Xu | Timo Korjamo | Jussi Malkki | Sari Pappinen | Johanna Tuunainen | Simone Hansmann | Fan Wu | Carolin Hoft | Yan Pang | Eva Huehn | Mei Wong | Jeike Biewenga | Achiel Van Peer | Richard Lloyd | Carole Shardlow | Irina Mishenzon | Jonathan Brown | Adam S. Darwich | Amin Rostami‐Hodjegan | James M. Mullin | Ke X. Szeto | Handan He | F. Mazuir | S. Ramusovic | Johanna Laru | Richard S. Lloyd | Pernilla Johansson

[1]  H Lennernäs,et al.  Oral biopharmaceutics tools - time for a new initiative - an introduction to the IMI project OrBiTo. , 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[2]  Patrick Poulin,et al.  Advancing prediction of tissue distribution and volume of distribution of highly lipophilic compounds from a simplified tissue-composition-based model as a mechanistic animal alternative method. , 2012, Journal of pharmaceutical sciences.

[3]  J. Houston,et al.  Clearance-dependent underprediction of in vivo intrinsic clearance from human hepatocytes: comparison with permeabilities from artificial membrane (PAMPA) assay, in silico and caco-2 assay, for 65 drugs. , 2012, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[4]  Thierry Lavé,et al.  PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 1: goals, properties of the PhRMA dataset, and comparison with literature datasets. , 2011, Journal of pharmaceutical sciences.

[5]  G. Amidon,et al.  The solubility-permeability interplay: mechanistic modeling and predictive application of the impact of micellar solubilization on intestinal permeation. , 2011, Molecular pharmaceutics.

[6]  M. Rowland,et al.  Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions. , 2006, Journal of pharmaceutical sciences.

[7]  J Brian Houston,et al.  BINDING OF DRUGS TO HEPATIC MICROSOMES: COMMENT AND ASSESSMENT OF CURRENT PREDICTION METHODOLOGY WITH RECOMMENDATION FOR IMPROVEMENT , 2006, Drug Metabolism and Disposition.

[8]  M. Rowland,et al.  Physiologically based pharmacokinetic modeling 1: predicting the tissue distribution of moderate-to-strong bases. , 2005, Journal of pharmaceutical sciences.

[9]  Kazuto Yamazaki,et al.  Computational prediction of the plasma protein-binding percent of diverse pharmaceutical compounds. , 2004, Journal of pharmaceutical sciences.

[10]  L. Berezhkovskiy,et al.  Volume of distribution at steady state for a linear pharmacokinetic system with peripheral elimination. , 2004, Journal of pharmaceutical sciences.

[11]  L. Lin,et al.  A concordance correlation coefficient to evaluate reproducibility. , 1989, Biometrics.

[12]  Amitava Mitra,et al.  IMI – Oral biopharmaceutics tools project – Evaluation of bottom‐up PBPK prediction success part 2: An introduction to the simulation exercise and overview of results , 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[13]  Xavier Pepin,et al.  IMI – oral biopharmaceutics tools project – evaluation of bottom‐up PBPK prediction success part 1: Characterisation of the OrBiTo database of compounds , 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

[14]  J. Dressman,et al.  Estimation of the Increase in Solubility of Drugs as a Function of Bile Salt Concentration , 2004, Pharmaceutical Research.

[15]  F. Theil,et al.  A priori prediction of tissue:plasma partition coefficients of drugs to facilitate the use of physiologically-based pharmacokinetic models in drug discovery. , 2000, Journal of pharmaceutical sciences.