PKPD Modeling & Simulation

Pharmacokinetic (PK) / pharmacodynamics (PD) models are highly valuable tools for drug efficacy and safety assessment, optimal dose selection and clinical trial design. Mathematical and computational PK/PD models have been successfully utilized in drug development and have played a critical role in reducing the amount of experimentation and accelerating drug development lifecycle. My research related to PK/PD modeling centers on a) building mechanism-based pharmacokinetic and pharmacodynamic modeling of small molecules (such as tysosine kinase inhibitors) and large molecules (such as Epo); b) model-informed drug development (such as antiparasitic drugs and novel HSD-1 inhibitors); c) population pharmacokinetic modeling of drugs in special populations (such as infants, critically ill patients, and surgical patients); as well as d) quantitative systems pharmacology (QSP). These models are expected to be highly beneficial for drug development as well as applied pharmacotherapy and are expected to improve the current state of applied drug therapy.

Representative papers related to this area:



1. Bach T, Wu N, An G*. Pharmacometric Model of Agalsidase-Migalastat Interaction in Human: A Novel Mechanistic Model of Drug-Drug Interaction Between a Therapeutic Protein and a Small Molecule. Journal of Pharmacokinetics and Pharmacodynamics 2022 Nov 14. doi:10.1007/s10928-022-09830-y. *Corresponding author PMID: 36376611

2. Bach T, Deye G, Codd E, Horton J, Winokur P, An G*. Population pharmacokinetic-pharmacodynamic model of oxfendazole in healthy adults in a multiple ascending doses and food effect study and target attainment analysis. Antimicrob Agents Chemother. 2022 Jan 18;66(1):e0143221. doi: 10.1128/AAC.01432-21. * Corresponding author PMID: 34606333

3. Wu N, Katz D, and An G*. A Target-Mediated Drug Disposition (TMDD) Model to Explain Non-Linear Pharmacokinetics of the 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitor SPI62 in Healthy Adults. J Clinical Pharmacology 2021 Nov;61(11):1442-1453. doi:10.1002/jcph.1925. * Corresponding author PMID: 34110620

4. Wu N, and An G*. Incorporating target-mediated drug disposition (TMDD) in a whole-body physiologically-based pharmacokinetic (PBPK) model of linagliptin in rat and scale up to human. The AAPS Journal 2020 Sep 29;22(6):125. doi: 10.1208/s12248-020-00481-w. * Corresponding author PMID: 32996028

5. An G*. Concept of Pharmacologic Target-Mediated Drug Disposition (TMDD) in Large-Molecule and Small-Molecule Compounds. Journal of Clinical Pharmacology. 2020;60(2):149-163. PMID:31793004 * Corresponding author

6. D’Cunha R, Schmidt R, Widness JA, Mock DM, Yan X, Cress GA, Kuruvilla D, Veng-Pedersen P, An G*. Target-Mediated Disposition Population Pharmacokinetics Model of Erythropoietin in Premature Neonates Following Multiple Dosing Regimens. European Journal of Pharmaceutical Sciences. 2019; 138:105013. PMID:31340188 * Corresponding author

7. Jiang Y, Milavetz G, James MO, An G*. A Mechanism-based Pharmacokinetic Enzyme Turnover Model for Dichloroacetic Acid Auto-Inhibition in Rats. Journal of Pharmaceutical Sciences. 2017;106(5):1396-1404. PMID: 28163135 * Corresponding author