The Development of Quantitative AOPs

A quantitative adverse outcome pathway (qAOP) is a mathematical/computational model that represents the dynamic processes linking a molecular initiating event with an adverse outcome. A unique feature that distinguishes a qAOP from other biologically based mathematical models is the prediction of key events that are part of the qualitative adverse outcome pathway and are measurable experimentally. This chapter reviews the evolution of qAOPs, describes methods to develop qAOPs, and provides two case study examples focused on reproduction in fish.

[1]  Gerald T Ankley,et al.  Modeling impacts on populations: fathead minnow (Pimephales promelas) exposure to the endocrine disruptor 17beta-trenbolone as a case study. , 2004, Ecotoxicology and environmental safety.

[2]  T. Quinn,et al.  Sex-specific patterns of lifetime reproductive success in single and repeat breeding steelhead trout (Oncorhynchus mykiss) , 2010, Behavioral Ecology and Sociobiology.

[3]  M. Kusakabe,et al.  Unilateral ovariectomy increases egg size and reduces follicular atresia in the semelparous coho salmon, Oncorhynchus kisutch. , 2008, Journal of experimental zoology. Part A, Ecological genetics and physiology.

[4]  Rory Conolly,et al.  Editor's Highlight: Computational Modeling of Plasma Vitellogenin Alterations in Response to Aromatase Inhibition in Fathead Minnows. , 2016, Toxicological sciences : an official journal of the Society of Toxicology.

[5]  H J Clewell,et al.  Considering pharmacokinetic and mechanistic information in cancer risk assessments for environmental contaminants: examples with vinyl chloride and trichloroethylene. , 1995, Chemosphere.

[6]  Gerald T. Ankley,et al.  A computational model for asynchronous oocyte growth dynamics in a batch-spawning fish , 2011 .

[7]  W J Jusko,et al.  Physiologic indirect response models characterize diverse types of pharmacodynamic effects , 1994, Clinical pharmacology and therapeutics.

[8]  F. A. Smith,et al.  Physiologically based pharmacokinetics and the risk assessment process for methylene chloride. , 1987, Toxicology and applied pharmacology.

[9]  J. Tsai,et al.  Analyzing the effectiveness of using branchial NKA activity as a biomarker for assessing waterborne copper toxicity in tilapia (Oreochromis mossambicus): A damage-based modeling approach. , 2015, Aquatic toxicology.

[10]  J. Nichols,et al.  Physiologically based toxicokinetic modeling of three waterborne chloroethanes in rainbow trout (Oncorhynchus mykiss). , 1991, Toxicology and applied pharmacology.

[11]  M. Otto,et al.  Metabolic Effect Level Index Links Multivariate Metabolic Fingerprints to Ecotoxicological Effect Assessment. , 2015, Environmental science & technology.

[12]  M. Owen,et al.  A mathematical model of the bovine oestrous cycle: simulating outcomes of dietary and pharmacological interventions. , 2012, Journal of theoretical biology.

[13]  J. Verducci,et al.  Modeling the endocrine control of vitellogenin production in female rainbow trout. , 2014, Mathematical biosciences and engineering : MBE.

[14]  Caird Rexroad,et al.  Status and opportunities for genomics research with rainbow trout. , 2002, Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology.

[15]  N. Novère Quantitative and logic modelling of molecular and gene networks , 2015, Nature Reviews Genetics.

[16]  Edward J. Perkins,et al.  Predicting Fecundity of Fathead Minnows (Pimephales promelas) Exposed to Endocrine-Disrupting Chemicals Using a MATLAB®-Based Model of Oocyte Growth Dynamics , 2016, PloS one.

[17]  Thomas N. Tozer,et al.  The Use of Pharmacokinetic Models in the Determination of Risks for Regulatory Purposes , 1989 .

[18]  P. Swanson,et al.  Endocrine Changes During Onset of Puberty in Male Spring Chinook Salmon, Oncorhynchus tshawytscha1 , 2003, Biology of reproduction.

[19]  Aidong Yang,et al.  On the Common Conceptual and Computational Frameworks for Multiscale Modeling , 2013 .

[20]  Kiyoshi Yamaoka,et al.  Application of Akaike's information criterion (AIC) in the evaluation of linear pharmacokinetic equations , 1978, Journal of Pharmacokinetics and Biopharmaceutics.

[21]  Gerald T Ankley,et al.  Evaluation of the aromatase inhibitor fadrozole in a short-term reproduction assay with the fathead minnow (Pimephales promelas). , 2002, Toxicological sciences : an official journal of the Society of Toxicology.

[22]  Irvin R. Schultz,et al.  Dose–response relationships and pharmacokinetics of vitellogenin in rainbow trout after intravascular administration of 17α-ethynylestradiol , 2001 .

[23]  C. E. Wilson,et al.  Feeding, Reconditioning, and Rematuration Responses of Captive Atlantic Salmon (Salmo salar) Kelt , 1992 .

[24]  H J Clewell,et al.  Applying simulation modeling to problems in toxicology and risk assessment--a short perspective. , 1995, Toxicology and applied pharmacology.

[25]  Daniel L Villeneuve,et al.  Adverse outcome pathways: A conceptual framework to support ecotoxicology research and risk assessment , 2010, Environmental toxicology and chemistry.

[26]  Cheryl A Murphy,et al.  Development and application of the adverse outcome pathway framework for understanding and predicting chronic toxicity: I. Challenges and research needs in ecotoxicology. , 2015, Chemosphere.

[27]  Gerald T. Ankley,et al.  Linking mechanistic toxicology to population models in forecasting recovery from chemical stress: A case study from Jackfish Bay, Ontario, Canada , 2015, Environmental toxicology and chemistry.

[28]  R. Nisbet,et al.  Relating suborganismal processes to ecotoxicological and population level endpoints using a bioenergetic model. , 2015, Ecological applications : a publication of the Ecological Society of America.

[29]  Jonghan Kim,et al.  Modeling the brain-pituitary-gonad axis in salmon. , 2006, Marine environmental research.

[30]  Steffen Borchers,et al.  Integrating Cellular Metabolism into a Multiscale Whole-Body Model , 2012, PLoS Comput. Biol..

[31]  Stephen M. Krone,et al.  A Computational Model of the Rainbow Trout Hypothalamus-Pituitary-Ovary-Liver Axis , 2016, PLoS Comput. Biol..

[32]  Melvin E Andersen,et al.  Defining and modeling known adverse outcome pathways: Domoic acid and neuronal signaling as a case study , 2011, Environmental toxicology and chemistry.

[33]  R. Sainsbury Aromatase inhibition in the treatment of advanced breast cancer: is there a relationship between potency and clinical efficacy? , 2004, British Journal of Cancer.

[34]  Manuel C. Peitsch,et al.  Systems Toxicology: From Basic Research to Risk Assessment , 2014, Chemical research in toxicology.

[35]  J. Sumpter,et al.  The dynamics of oocyte growth during vitellogenesis in the rainbow trout (Oncorhynchus mykiss). , 1990, Biology of reproduction.

[36]  David H. Miller,et al.  Rapid Communication Modeling impacts on populations: fathead minnow (Pimephales promelas) exposure to the endocrine disruptor 17b-trenbolone as a case study , 2004 .

[37]  Peter Deuflhard,et al.  A mathematical model of the human menstrual cycle for the administration of GnRH analogues. , 2013, Journal of theoretical biology.

[38]  Nicholas A Cilfone,et al.  Strategies for Efficient Numerical Implementation of Hybrid Multi-scale Agent-Based Models to Describe Biological Systems , 2014, Cellular and Molecular Bioengineering.