Computational methods and applications for quantitative systems pharmacology
Fuda Xie, Jiangyong Gu · Quantitative Biology · 2019
Background Quantitative systems pharmacology (QSP) is an emerging discipline that integrates diverse data to quantitatively explore the interactions between d rugs and multi‐scale systems including small compounds, nucleic acids, proteins, pathways, cells, organs and disease processes. Results Various computational methods such as ADME/T evaluation, molecular modeling, logical modeling, network modeling, pathway analysis, multi‐scale systems pharmacology platforms and virtual patient for QSP have been developed. We reviewed the major progresses and broad applications in medical guidance, drug discovery and exploration of pharmacodynamic material basis and mechanism of traditional Chinese medicine. Conclusion QSP has significant achievements in recent years and is a promising approach for quantitative evaluation of drug efficacy and systematic exploration of mechanisms of action of drugs.