Model-based drug discovery: implementation and impact.

Sandra A G Visser; Malin Aurell; Rhys D O Jones; Virna J A Schuck; Ann-Charlotte Egnell; Sheila A Peters; Lena Brynne; James W T Yates; Rasmus Jansson-Löfmark; Beesan Tan; Marie Cooke; Simon T Barry; Andrew Hughes; Ulf Bredberg

doi:10.1016/j.drudis.2013.05.012

Model-based drug discovery: implementation and impact.

Sandra A G Visser, Malin Aurell, Rhys D O Jones, Virna J A Schuck, Ann-Charlotte Egnell, Sheila A Peters, Lena Brynne, James W T Yates, Rasmus Jansson-Löfmark, Beesan Tan, Marie Cooke, Simon T Barry, Andrew Hughes, Ulf Bredberg

Research output: Contribution to journal › Article › peer-review

Abstract

Model-based drug discovery (MBDDx) aims to build and continuously improve the quantitative understanding of the relation between drug exposure (target engagement) efficacy and safety, to support target validation; to define compound property criteria for lead optimization and safety margins; to set the starting dose; and to predict human dose and scheduling for clinical candidates alone, or in combination with other medicines. AstraZeneca has systematically implemented MBDDx within all drug discovery programs, with a focused investment to build a preclinical modeling and simulation capability and an in vivo information platform and architecture, the implementation, impact and learning of which are discussed here.

Original language	English
Journal	Drug discovery today
Volume	18
Issue number	15-16
DOIs	https://doi.org/10.1016/j.drudis.2013.05.012
Publication status	Published - Aug 2013

Access to Document

10.1016/j.drudis.2013.05.012

Cite this

@article{23f4a5a4672e4b29b012d6fea121ce91,

title = "Model-based drug discovery: implementation and impact.",

abstract = "Model-based drug discovery (MBDDx) aims to build and continuously improve the quantitative understanding of the relation between drug exposure (target engagement) efficacy and safety, to support target validation; to define compound property criteria for lead optimization and safety margins; to set the starting dose; and to predict human dose and scheduling for clinical candidates alone, or in combination with other medicines. AstraZeneca has systematically implemented MBDDx within all drug discovery programs, with a focused investment to build a preclinical modeling and simulation capability and an in vivo information platform and architecture, the implementation, impact and learning of which are discussed here.",

author = "Visser, {Sandra A G} and Malin Aurell and Jones, {Rhys D O} and Schuck, {Virna J A} and Ann-Charlotte Egnell and Peters, {Sheila A} and Lena Brynne and Yates, {James W T} and Rasmus Jansson-L{\"o}fmark and Beesan Tan and Marie Cooke and Barry, {Simon T} and Andrew Hughes and Ulf Bredberg",

year = "2013",

month = aug,

doi = "10.1016/j.drudis.2013.05.012",

language = "English",

volume = "18",

journal = "Drug discovery today",

issn = "1878-5832",

publisher = "Elsevier BV",

number = "15-16",

}

TY - JOUR

T1 - Model-based drug discovery: implementation and impact.

AU - Visser, Sandra A G

AU - Aurell, Malin

AU - Jones, Rhys D O

AU - Schuck, Virna J A

AU - Egnell, Ann-Charlotte

AU - Peters, Sheila A

AU - Brynne, Lena

AU - Yates, James W T

AU - Jansson-Löfmark, Rasmus

AU - Tan, Beesan

AU - Cooke, Marie

AU - Barry, Simon T

AU - Hughes, Andrew

AU - Bredberg, Ulf

PY - 2013/8

Y1 - 2013/8

N2 - Model-based drug discovery (MBDDx) aims to build and continuously improve the quantitative understanding of the relation between drug exposure (target engagement) efficacy and safety, to support target validation; to define compound property criteria for lead optimization and safety margins; to set the starting dose; and to predict human dose and scheduling for clinical candidates alone, or in combination with other medicines. AstraZeneca has systematically implemented MBDDx within all drug discovery programs, with a focused investment to build a preclinical modeling and simulation capability and an in vivo information platform and architecture, the implementation, impact and learning of which are discussed here.

AB - Model-based drug discovery (MBDDx) aims to build and continuously improve the quantitative understanding of the relation between drug exposure (target engagement) efficacy and safety, to support target validation; to define compound property criteria for lead optimization and safety margins; to set the starting dose; and to predict human dose and scheduling for clinical candidates alone, or in combination with other medicines. AstraZeneca has systematically implemented MBDDx within all drug discovery programs, with a focused investment to build a preclinical modeling and simulation capability and an in vivo information platform and architecture, the implementation, impact and learning of which are discussed here.

U2 - 10.1016/j.drudis.2013.05.012

DO - 10.1016/j.drudis.2013.05.012

M3 - Article

C2 - 23726890

SN - 1878-5832

VL - 18

JO - Drug discovery today

JF - Drug discovery today

IS - 15-16

ER -

Model-based drug discovery: implementation and impact.

Abstract

Access to Document

Fingerprint

Cite this