Kangwon National University · College of Pharmacy

Quantifying drug behavior from molecules to populations.

We integrate molecular docking, ADME/Tox experiments, in vitro and in vivo PK/PD, LC-MS/MS bioanalysis, PBPK/PopPK modeling, and machine learning to translate pharmacokinetic mechanisms into decision-grade evidence.

Molecular docking ADME/Tox LC-MS/MS In vivo PK/PD PBPK · PopPK Machine learning
View research platform Publications
QCP Lab scientific overviewlive PK workflow

1. Molecular docking

Protein-like receptor ribbons, a defined binding pocket, and a small-molecule ligand docking into the active site.

Protein receptor Ligand Pocket α-helix ribbons · β-sheet arrows

2. ADME/Tox mechanisms

Gut absorption, hepatic CYP metabolism, transporter-mediated distribution, and renal excretion.

Gut lumen absorption Liver CYP450 CYP Transporter Kidney

3. LC-MS/MS bioanalysis

Autosampler injection, LC separation, Q1–Q2–Q3 ion transition, dynamic chromatogram and MS spectrum.

Autosampler LC column Q1 filter Q2 collision Q3 analyzer Chromatogram MS spectrum

4. PBPK, PopPK & ML simulation

Organ compartments, virtual populations, DDI scenarios, and changing concentration-time profiles.

PBPK organ structure Gut Liver Heart Kidney Population PK profiles Virtual cohort + ML covariates age · sex · weight · disease · CYP

Research

Integrated experimental–computational PK platform

A compact view of the lab pipeline: mechanism-level molecular and ADME evidence, quantitative bioanalysis, translational PK/PD, and model-informed simulation.

Focus 01

Molecular Docking, Experimental PK & ADME/Tox

Mechanistic interpretation of absorption, metabolism, transporter-mediated distribution, excretion, toxicity-related exposure, and in vitro/in vivo PK/PD evidence.

Docking Gut absorption CYP metabolism CYP Tissue transporter Kidney excretion PK/PD response
Gut absorption
CYP metabolism
Transporters
PK/PD in disease models

Focus 02

LC-MS/MS Bioanalysis & Metabolomics

Quantitative drug analysis in biological matrices, MRM transition design, metabolite profiling, and time-resolved mass spectral interpretation.

Autosampler LC column Q1precursor Q2fragmentation Q3fragment Real-time chromatogram Dynamic MS spectrum
Drug quantification
MRM transition
Metabolite ID
Metabolomics

Focus 03

PBPK/PopPK Modeling & Virtual Clinical Simulation

Physiological organ models, virtual populations, dose-exposure prediction, covariate effects, and DDI scenarios under inducer/inhibitor conditions.

PBPK model structure Gut Liver Heart Kidney Population PK profiles Virtual cohort scenario: inhibitor / inducer / disease
PBPK model
PopPK model
DDI simulation
Virtual clinical trial

Focus 04

Machine Learning for Translational PK

Data integration across molecular features, physicochemical descriptors, ADME assays, bioanalytical outputs, and patient-level covariates.

Population PK computation ML covariate graph CYPsexageweightdisease Cohort resampling
Feature engineering
PK covariates
Model selection
Prediction support

Publications

Selected and complete publication list

Recent 10 papers are shown first. Use the button to expand the full list.

    People

    Members

    Sung-Hoon Ahn profile photo

    Principal Investigator

    Sung-Hoon Ahn, Pharm.D., Ph.D.

    Professor, College of Pharmacy, Kangwon National University

    ahnsh@kangwon.ac.kr Office: Innovation Pharmaceutical Clinical Research Building 210 Tel: +82-33-250-6912

    Doctoral students

    Kyung-Sun Moonmoonks97@kangwon.ac.kr
    Jong-Min Songnayasjm@kangwon.ac.kr
    Ju Hyun Parkblessingway@daum.net
    Hee Uk Kimheeukkim@naver.com
    Eun Dong Shinsed4001@kangwon.ac.kr
    Jong Bae Kimk9272467@gmail.com
    Young-Hyean Namyhy-nam@daum.net
    June Hahk Baetonyjbae@naver.com
    Hyun Chan Limtaxking@kakao.com
    Kiok Ahnkiokahn@daum.net
    Joon Hee Leenato1971@naver.com

    Master's students

    Chae-I Shinscl2675@naver.com
    Min-Kyung Jeongttdd4971@gmail.com
    Su-A Choisuah0408@naver.com
    Min Leewsclm30@gmail.com
    Mariam Khaledmariemkhaled80@gmail.com

    Programs

    Programs and institutional support