Current Approaches of Building Mechanistic Pharmacodynamic Drug–Target Binding Models

Jingyi Liang, Vi Ngoc Nha Tran, Colin Hemez, Pia Abel zur Wiesch

Research output: Chapter in Book/Report/Conference proceedingChapter


Mechanistic pharmacodynamic models that incorporate the binding kinetics of drug–target interactions have several advantages in understanding target engagement and the efficacy of a drug dose. However, guidelines on how to build and interpret mechanistic pharmacodynamic drug–target binding models considering both biological and computational factors are still missing in the literature. In this chapter, current approaches of building mechanistic PD models and their advantages are discussed. We also present a methodology on how to select a suitable model considering both biological and computational perspectives, as well as summarize the challenges of current mechanistic PD models.

Original languageEnglish (US)
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Number of pages17
StatePublished - 2022

Publication series

NameMethods in Molecular Biology
ISSN (Print)1064-3745
ISSN (Electronic)1940-6029

All Science Journal Classification (ASJC) codes

  • Molecular Biology
  • Genetics

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