Application value of quantitative system pharmacology in drug discovery for traditional Chinese medicine
Article Sidebar
Submitted
July 13, 2020
Published
September 1, 2020
Keywords:
-
Quantitative system pharmacology; Traditional Chinese medicine; Drug discovery
Abstract
Quantitative system pharmacology (QSP) is a discipline that combines computational models of systems biology and systems pharmacology. With the development of high-throughput genomics techniques (genomics, transcriptomics, proteomics, and metabolomics) as well as computer and bioinformatics methods, systems biology and systems pharmacology modeling are widely used to comprehend human biology and disease progression, predict the effectiveness and safety of drug candidates. Due to the advancement of big data and high-quality database, the application of QSP, especially the pre-clinical stage that guides early drug discovery, is increasingly widespread. The traditional drug discovery process takes a long time yet has a low success rate. The early intervention and full participation of QSP in the development of new drugs discovery can form a model-led drug development model to improve the efficiency of drug discovery and scientific appraise, reduce the cost of research and development, and shorten the time to market for new drugs. This article reviews the differences between QSP and other quantitative pharmacology, the problems faced by traditional Chinese medicine research, and the value of QSP in traditional Chinese medicine research, with a view to providing reference and support for the research and development of new traditional Chinese medicine.
Full text article
Generated from XML file
References
[1] Ogishima S. Human Genome Data and Drug Development. Gan To Kagaku Ryoho. 2018; 45(4): 597-600.
[2] Lum PY, Derry JM, Schadt EE. Integrative genomics and drug development. Pharmacogenomics. 2009; 10(2): 203-212.
[3] Chou KC. Some illuminating remarks on molecular genetics and genomics as well as drug development. Mol Genet Genomics. 2020; 295(2): 261-274.
[4] Dugger SA, Platt A, Goldstein DB. Drug development in the era of precision medicine. Nat Rev Drug Discov. 2018; 17(3):183-196.
[5] Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O’Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Ultra-large library docking for discovering new chemotypes. Nature. 2019; 566, 224-229.
[6] Wang YH, Yang L. Modern Chinese Medicine Research System Based on System Pharmacology. World Chinese Medicine. 2013; 8(7): 801-808.
[7] Gibbs JP, Menon R, Kasichayanula S. Bedside to Bench: Integrating Quantitative Clinical Pharmacology and Reverse Translation to Optimize Drug Development. Clin Pharmacol Ther. 2018; 103(2):196-198.
[8] Geerts H, Gieschke R, Peck R. Use of quantitative clinical pharmacology to improve early clinical development success in neurodegenerative diseases. Expert Rev Clin Pharmacol. 2018; 11(8):789-795.
[9] EFPIA MID3 Workgroup, Marshall SF, Burghaus R, Cosson V, Cheung SY, Chenel M, DellaPasqua O, Frey N, Hamrén B, Harnisch L, Ivanow F, Kerbusch T, Lippert J, Milligan PA, Rohou S, Staab A, Steimer JL, Tornøe C, Visser SA. Good Practices in Model-Informed Drug Discovery and Development: Practice, Application, and Documentation. CPT Pharmacometrics Syst Pharmacol. 2016; 5(3):93-122.
[10] Hardy T, Abu-Raddad E, Porksen N, De Gaetano A. Evaluation of a mathematical model of diabetes progression against observations in the Diabetes Prevention Program. Am J Physiol Endocrinol Metab. 2012; 303(2):E200-212.
[11] Messinis DE, Melas IN, Hur J, Varshney N, Alexopoulos LG, Bai JPF. Translational systems pharmacology-based predictive assessment of drug-induced cardiomyopathy. CPT Pharmacometrics Syst Pharmacol. 2018; 7(3):166-174.
[12] Nijsen M, Wu F, Bansal L, Bradshaw-Pierce E, Chan JR, Liederer BM. Preclinical QSP modeling in the pharmaceutical industry: an IQ consortium survey examining the current landscape. CPT Pharmacometrics Syst Pharmacol. 2018; 7(3):135-146.
[13] Rowland M, Peck C, Tucker G. Physiologically-based pharmacokinetics in drug development and regulatory science. Annu Rev Pharmacol Toxicol. 2011; 51: 45-73.
[14] Mould DR. Model-based meta-analysis: an important tool for making quantitative decisions during drug development. Clin Pharmacol Ther. 2012; 92(3) : 283-286.
[15] Vicini P, van der Graaf PH. Systems pharmacology for drug discovery and development: paradigm shift or flash in the pan. Clin Pharmacol Ther, 2013, 93 (5) : 379-381.
[16] Dayneka NL, Garg V, Jusko WJ. Comparison of four basic models of indirect pharmacodynamic responses. J Pharmacokinet Biopharm. 1993; 21(4) : 457-478.
[17] Sheiner LB. Learning versus confirming in clinical drug development. Clin Pharmacol Ther. 1997; 61 (3) : 275-291.
[18] EMA. Guideline on the qualification and reporting of physiologically based pharmacokinetic ( PBPK) modelling and simulation [EB/OL]. [2016-7-29].
http://www.ema.europa.eu/docs/en-GB/document-library/Scientific-guideline/2016 /07/WC500211315. pdf.
[19] FDA. Physiologically based pharmacokinetic analyses- format and content guidance for industry [EB/OL]. [2016-12-01]. https://www.fda.gov/downloads/ drugs/guidancecomplianceregulatoryinformation /guid- ances/ucm531207.pdf.
[20] Ke A, Barter Z, Rowland-Yeo K, Almond L. Towards a Best Practice Approach in PBPK Modeling: Case Example of Developing a Unified Efavirenz Model Accounting for Induction of CYPs 3A4 and 2B6. CPT Pharmacometrics Syst Pharmacol. 2016;5(7):367-76.
[21] Zhao P. Report from EMA workshop on qualification and reporting of physiologically-based pharmacokinetic (PBPK) modelling and simulation. CPT Pharmacometrics Syst Pharmacol, 2017, 6(2) : 71-72.
[22] van der Graaf PH, Benson N. The role of quantitative systems pharmacology in the design of fifirst-in-human trials. Clin Pharmacol Ther. 2018; 104(5):797.
[23] Liu DY, Wang K, Ma GL, Xiang XQ, Liu J, Zhao P. The value and general considerations of quantitative pharmacology research in new drug development. Chinese Clin Pharmacology and Therapeutics. 2018; 23(9): 961-973.
[24] Chen B, Dong JQ, Pan WJ, Ruiz A. Pharmacokinetics/pharmacodynamics model-supported early drug development. Curr Pharm Biotechnol. 2012;13(7):1360-1375.
[25] Lavé T, Caruso A, Parrott N, Walz A. Translational PK/PD modeling to increase probability of success in drug discovery and early development. Drug Discov Today Technol. 2016; 21-22:27-34.
[26] Wong H, Bohnert T, Damian-Iordache V, et al. Translational pharmacokinetic-pharmacodynamic analysis in the pharmaceutical industry: an IQ Consortium PK-PD Discussion Group perspective. Drug Discov Today. 2017;22(10):1447-1459.
[27] Sorger PK, Altman RB, Brouwer KLR, Califano A, D'Argenio DZ. Quantitative and Systems Pharmacology in the Post-genomic Era: New Approaches to Discovering Drugs and Understanding Therapeutic Mechanisms. 2011.
[28]Bradshaw EL, Spilker ME, Zang R, Bansal L, He H, Jones RDO, Le K, Penney M, Schuck E, Topp B, Tsai A, Xu C, Nijsen MJMA, Chan JR. Applications of Quantitative Systems Pharmacology in Model-Informed Drug Discovery: Perspective on Impact and Opportunities. CPT Pharmacometrics Syst Pharmacol. 2019; 8(11):777-791.
[29] Richiardi J, Altmann A, Milazzo A-C, Chang C, Chakravarty MM, Banaschewski T, Barker GJ, Bokde ALW, Bromberg U, Buchel C, Conrod P, Fauth-Buhler M, Flor H, Frouin V, Gallinat J, Garavan H, Gowland P, Heinz A, Lemaitre H, Mann KF, Martinot J-L, Nees F, Paus T, Pausova Z, Rietschel M, Robbins TW, Smolka MN, Spanagel R, Strohle A, Schumann G, Hawrylycz M, Poline J-B, Greicius MD. Correlated gene expression supports synchronous activity in brain networks. Science.2015; 348:1241-1244.
[30] Chen R, Wang J, Zhan R, Zhang L, Wang X. Integrated Systems Pharmacology, Urinary Metabonomics, and Quantitative Real-Time PCR Analysis to Uncover Targets and Metabolic Pathways of the You-Gui Pill in Treating Kidney-Yang Deficiency Syndrome. Int J Mol Sci. 2019;20(15):3655.
[31]Ruiz-Cerdá ML, Irurzun-Arana I, González-Garcia I, Hu C, Zhou H, Vermeulen A, Trocóniz IF, Gómez-Mantilla JD. Towards patient stratification and treatment in the autoimmune disease lupus erythematosus using a systems pharmacology approach. Eur J Pharm Sci. 2016; 94:46-58.
[32] Fleisher B, Brown AN, Ait-Oudhia S. Application of pharmacometrics and quantitative systems pharmacology to cancer therapy: The example of luminal a breast cancer. Pharmacol Res. 2017;124:20-33.
[33] Stites EC, Shaw AS. Quantitative Systems Pharmacology Analysis of KRAS G12C Covalent Inhibitors. CPT Pharmacometrics Syst Pharmacol. 2018; 7(5):342-351.
[34] Geerts H, Wikswo J, van der Graaf PH, Bai JPF, Gaiteri C, Bennett D, Swalley SE, Schuck E, Kaddurah-Daouk R, Tsaioun K, Pelleymounter M. Quantitative Systems Pharmacology for Neuroscience Drug Discovery and Development: Current Status, Opportunities, and Challenges. CPT Pharmacometrics Syst Pharmacol. 2020; 9(1):5-20.
[35] Gobburu JV. Pharmacometrics 2020. J Clin Pharmacol, 2010; 50(9 Suppl): 151S-157S.
[36] Yildirim MA, Goh KI, Cusick ME, Barabási AL, Vidal M. Drug-target network. Nat Biotechnol. 2007; 25(10):1119-1126.
[37] Yu H, Chen J, Xu X, Li Y, Zhao H, Fang Y, Li X, Zhou W, Wang W, Wang Y. A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data. PLoS One. 2012;7(5):e37608.
[38] Wang YY. System Biology and the Development of Chinese Medicine-The Relationship between System Theory and Reduction Theory in Chinese Medicine Research. Word Sci Technol Mod Tradit Chin Med. 2007; 9(1): 70-73,79.
[39] Zhao YJ, Li F, Shi BB, Li Y. Pharmacology of Traditional Chinese Medicine System Ⅱ: Application Progress in Drug Development and Compound Research. Liaoning Journal of Traditional Chinese Medicine. 2020; 47(3): 213-220
[40] Zhang RF, Song XY. Survey of pharmacokinetics research of traditional Chinese medicine. Chinese and Foreign Health Digest. 2013; (27): 645-649
[41] Xing PL, Liu CS. Analysis on the bottleneck of Chinese medicine development and its development trend. Daqing She Hui Ke Xue. 2012; (1):88-89.
[42] Qiu J. 'Back to the future' for Chinese herbal medicines. Nature reviews. Drug discovery. 2007; (6):506-507.
[43] Verpoorte R, Crommelin D, Danhof M, Gilissen LJ, Schuitmaker LF, vander Greef J, Witkamp RF. Commentary: A systems view on the future of medicine: inspiration from Chinese medicine?. Journal of ethnopharmacology. 2009; 121(3): 479-481.
[44] Ke-Yong N, Min L. Application of morbid animal model in drug safety evaluation of traditional Chinese medicine. Front Pharmacol. 2015; 6:37
[45] Li L, Liu JX, Ren JX, Guo H, Lin CR. Zhongguo Zhong Yao Za Zhi. 2017; 42(2):254-258.
[46] Chen JC, Liu JX, Lin CR, Ren JG, Li L, Guo H. Zhongguo Zhong Yao Za Zhi. 2018; 43(11):2177-2183.
[47] Zhang HQ. The development direction of Chinese medicine. Zhongguo Min Zu Min Jian Yi Yao. 2010; 4: 6-7
[48] Wu PX, Wang XX, Liu Yan. Comparison between Syndrome Differentiation and Treatment of Traditional Chinese Medicine and Precision Medicine. She Jie Ke Xue Ji Shu (Zhong Yi Yao Xian Dai Hua). 2016; 18(8):1219-1223.
[49] Wang YH, Li Y. Systematic pharmacology principle method and application. Da Lian Li Gong University Press. 2016. 9
[50] Shu Z, Wu T, Shahen M, Guo Z, Shu J, Wang HE, Shar AH, Farag MR, Alagawany M, El-Hack MEA, Liu C. System-Pharmacology Dissection of Traditional Chinese herbs SINI Decoction for Treatment of Cardiovascular Diseases. An Acad Bras Cienc. 2019 ;91(3):e20180424.
[51] Wang D, Gu J, Zhu W, Luo F, Chen L, Xu X, Lu C. PDTCM: a systems pharmacology platform of traditional Chinese medicine for psoriasis. Ann Med. 2017;49(8):652-660.
[52] Pan GF, Zhu XX, Zhang XD. Studies on System Biology and Effective Components of Traditional Chinese Medicine. She Jie Ke Xue Ji Shu (Zhong Yi Yao Xian Dai Hua). 2008,10(2):5-11.
[53] Hao DC, Xiao PG. Impact of Drug Metabolism/Pharmacokinetics and their Relevance Upon Traditional Medicine-based Cardiovascular Drug Research. Curr Drug Metab. 2019; 20(7):556-574.
[54] Hao DC, Ge GB, Xiao PG, Wang P, Yang L. Drug metabolism and pharmacokinetic diversity of ranunculaceae medicinal compounds. Curr Drug Metab. 2015;16(4):294-321.
[55] LuY, Liu B, Ji N. New Ideas on Basic Research of Traditional Chinese Medicine-System Biology. Chinese Med Clin Res. 2010; 2(19): 108-109.
[56] Li Z, Liu J, Zhang D, Du X, Han L, Lv C, Li Y, Wang R, Wang B, Huang Y. Nuciferine and paeoniflorin can be quality markers of Tangzhiqing tablet, a Chinese traditional patent medicine, based on the qualitative, quantitative and dose-exposure-response analysis. Phytomedicine. 2018;44:155-163.
[57] Zhang X, Liu T, Fan X, Ai N. In silico modeling on ADME properties of natural products: Classification models for blood-brain barrier permeability, its application to traditional Chinese medicine and in vitro experimental validation. J Mol Graph Model. 2017;75:347-354.
[58] CFDA. Technical guidelines for clinical trial data management [EB/OL]. [2016-7-27]. http: //www.cde.org.cn /zdyz. do? method = largePage＆id = 271．
[59] CFDA. Guiding principles for planning and reporting of drug clinical trial data management and statistical analysis [EB/OL]. [2016-7-27]. http:// www.cde.org.cn /zdyz.do? method =largePage＆id = 270.
[60] CFDA. General considerations for drug clinical trials [EB/OL].[2017-1-18]. http: //www.cde.org.cn /zdyz. do? method = largePage＆id = 263.
[61] CFDA.Guiding principles for pharmacokinetic research techniques in patients with liver damage[EB/OL].[2012-5-15]. http: //www. Cde.org.cn /zdyz. do? method = largePage＆id = 150.
[62] CFDA.Guiding principles for pharmacokinetic research techniques in patients with renal impairment [EB/OL].[2012-5-15]. http://www.cde.org.cn /zdyz.do? method = largePage＆id = 145.
[63] CFDA.Guiding principles for drug interaction studies [EB/OL].[2012-5-15]. http: //www.cde. Org. cn /zdyz. do? method = largePage＆id = 147.
[64] CFDA.Technical guidelines for extrapolation of medication data to the pediatric population [EB/OL]. [2017-5-18]. http: //www.cde.org.cn/zdyz.do? method= largePage＆id = 262.
[65] CFDA. Guiding principles for pharmacokinetic research techniques in pediatric population [EB/OL]. [2014-7-11]. http://www.cde.org.cn/zdyz.do?method= largePage＆id = 241.
[66] CFDA. Guiding Principles for Research on Antimicrobial Breakpoints (Draft for Online Comment) [EB/OL]. [2017-8-18]. http://www. Cde.org. cn/search.do? method = searchTitle.
[67] Fang J, Wu Z, Cai C, Wang Q, Tang Y, Cheng F. Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy. J Chem Inf Model. 2017; 57(11):2657-2671.
[68] Wu Z, Lu W, Yu W, Wang T, Li W, Liu G, Zhang H, Pang X, Huang J, Liu M, Cheng F, Tang Y. Quantitative and systems pharmacology 2. In silico polypharmacology of G protein-coupled receptor ligands via network-based approaches. Pharmacol Res. 2018; 129:400-413.
[69] Fang J, Gao L, Ma H, Wu Q, Wu T, Wu J, Wang Q, Cheng F. Quantitative and Systems Pharmacology 3. Network-Based Identification of New Targets for Natural Products Enables Potential Uses in Aging-Associated Disorders. Front Pharmacol. 2017;8:747.
[70] Fang J, Cai C, Chai Y, Zhou J, Huang Y, Gao L, Wang Q, Cheng F. Quantitative and systems pharmacology 4. Network-based analysis of drug pleiotropy on coronary artery disease. Eur J Med Chem. 2019;161:192-204.
[71] Milberg O, Gong C, Jafarnejad M, Bartelink IH, Wang B, Vicini P, Narwal R, Roskos L, Popel AS. A QSP Model for Predicting Clinical Responses to Monotherapy, Combination and Sequential Therapy Following CTLA-4, PD-1, and PD-L1 Checkpoint Blockade. Sci Rep. 2019;9(1):11286.
[72] Stroh M, Sagert J, Burke JM, Apgar JF, Lin L, Millard BL, Michael Kavanaugh W. Quantitative Systems Pharmacology Model of a Masked, Tumor-Activated Antibody. CPT Pharmacometrics Syst Pharmacol. 2019; 8(9):676-684.
[73] Wang H, Milberg O, Bartelink IH, Vicini P, Wang B, Narwal R, Roskos L, Santa-Maria CA, Popel AS. In silico simulation of a clinical trial with anti-CTLA-4 and anti-PD-L1 immunotherapies in metastatic breast cancer using a systems pharmacology model. R Soc Open Sci. 2019; 6(5):190366.
[74] Betts A, Haddish-Berhane N, Shah DK, van der Graaf PH, Barletta F, King L, Clark T, Kamperschroer C, Root A, Hooper A, Chen X. A Translational Quantitative Systems Pharmacology Model for CD3 Bispecific Molecules: Application to Quantify T Cell-Mediated Tumor Cell Killing by P-Cadherin LP DART®. AAPS J. 2019; 21(4):66.
[75] Hardiansyah D, Ng CM. Quantitative Systems Pharmacology Model of Chimeric Antigen Receptor T-Cell Therapy. Clin Transl Sci. 2019;12(4):343-349.
[76] Hampel H, Lista S, Mango D, Nisticò R, Perry G, Avila J, Hernandez F, Geerts H, Vergallo A; Alzheimer Precision Medicine Initiative (APMI). Lithium as a Treatment for Alzheimer's Disease: The Systems Pharmacology Perspective. J Alzheimers Dis. 2019; 69(3):615-629.
[77] Clausznitzer D, Pichardo-Almarza C, Relo AL, van Bergeijk J, van der Kam E, Laplanche L, Benson N, Nijsen M. Quantitative Systems Pharmacology Model for Alzheimer Disease Indicates Targeting Sphingolipid Dysregulation as Potential Treatment Option. CPT Pharmacometrics Syst Pharmacol. 2018; 7(11):759-770.
[78] Geerts H, Spiros A, Roberts P. Impact of amyloid-beta changes on cognitive outcomes in Alzheimer's disease: analysis of clinical trials using a quantitative systems pharmacology model. Alzheimers Res Ther. 2018;10(1):14-21.
[79] Geerts H, Spiros A, Roberts P, Carr R. Towards the virtual human patient. Quantitative Systems Pharmacology in Alzheimer's disease. Eur J Pharmacol. 2017; 817:38-45.
[80] Helmlinger G, Sokolov V, Peskov K, Hallow KM, Kosinsky Y, Voronova V, Chu L, Yakovleva T, Azarov I, Kaschek D, Dolgun A, Schmidt H, Boulton DW, Penland RC. Quantitative Systems Pharmacology: An Exemplar Model-Building Workflow With Applications in Cardiovascular, Metabolic, and Oncology Drug Development. CPT Pharmacometrics Syst Pharmacol. 2019; 8(6):380-395.
[81] Gaillard-Bigot F, Zendjidjian XY, Kheloufi F, Casse-Perrot C, Guilhaumou R, Micallef J, Fakra E, Azorin JM, Blin O. Quantitative System Pharmacology (QSP): An Integrative Framework for paradigm change in the treatment of the first-episode schizophrenia. Encephale. 2018; 44(6S):S34-S38.
[82] Traynard P, Tobalina L, Eduati F, Calzone L, Saez-Rodriguez J. Logic Modeling in Quantitative Systems Pharmacology. CPT Pharmacometrics Syst Pharmacol. 2017; 6(8):499-511.
[83] Ribba B, Grimm HP, Agoram B, Davies MR, Gadkar K, Niederer S, van Riel N, Timmis J, van der Graaf PH. Methodologies for Quantitative Systems Pharmacology (QSP) Models: Design and Estimation. CPT Pharmacometrics Syst Pharmacol. 2017; 6(8):496-498.
[84] Elmokadem A, Riggs MM, Baron KT. Quantitative Systems Pharmacology and Physiologically-Based Pharmacokinetic Modeling With mrgsolve: A Hands-On Tutorial. CPT Pharmacometrics Syst Pharmacol. 2019; 8(12):883-893.
[2] Lum PY, Derry JM, Schadt EE. Integrative genomics and drug development. Pharmacogenomics. 2009; 10(2): 203-212.
[3] Chou KC. Some illuminating remarks on molecular genetics and genomics as well as drug development. Mol Genet Genomics. 2020; 295(2): 261-274.
[4] Dugger SA, Platt A, Goldstein DB. Drug development in the era of precision medicine. Nat Rev Drug Discov. 2018; 17(3):183-196.
[5] Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O’Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Ultra-large library docking for discovering new chemotypes. Nature. 2019; 566, 224-229.
[6] Wang YH, Yang L. Modern Chinese Medicine Research System Based on System Pharmacology. World Chinese Medicine. 2013; 8(7): 801-808.
[7] Gibbs JP, Menon R, Kasichayanula S. Bedside to Bench: Integrating Quantitative Clinical Pharmacology and Reverse Translation to Optimize Drug Development. Clin Pharmacol Ther. 2018; 103(2):196-198.
[8] Geerts H, Gieschke R, Peck R. Use of quantitative clinical pharmacology to improve early clinical development success in neurodegenerative diseases. Expert Rev Clin Pharmacol. 2018; 11(8):789-795.
[9] EFPIA MID3 Workgroup, Marshall SF, Burghaus R, Cosson V, Cheung SY, Chenel M, DellaPasqua O, Frey N, Hamrén B, Harnisch L, Ivanow F, Kerbusch T, Lippert J, Milligan PA, Rohou S, Staab A, Steimer JL, Tornøe C, Visser SA. Good Practices in Model-Informed Drug Discovery and Development: Practice, Application, and Documentation. CPT Pharmacometrics Syst Pharmacol. 2016; 5(3):93-122.
[10] Hardy T, Abu-Raddad E, Porksen N, De Gaetano A. Evaluation of a mathematical model of diabetes progression against observations in the Diabetes Prevention Program. Am J Physiol Endocrinol Metab. 2012; 303(2):E200-212.
[11] Messinis DE, Melas IN, Hur J, Varshney N, Alexopoulos LG, Bai JPF. Translational systems pharmacology-based predictive assessment of drug-induced cardiomyopathy. CPT Pharmacometrics Syst Pharmacol. 2018; 7(3):166-174.
[12] Nijsen M, Wu F, Bansal L, Bradshaw-Pierce E, Chan JR, Liederer BM. Preclinical QSP modeling in the pharmaceutical industry: an IQ consortium survey examining the current landscape. CPT Pharmacometrics Syst Pharmacol. 2018; 7(3):135-146.
[13] Rowland M, Peck C, Tucker G. Physiologically-based pharmacokinetics in drug development and regulatory science. Annu Rev Pharmacol Toxicol. 2011; 51: 45-73.
[14] Mould DR. Model-based meta-analysis: an important tool for making quantitative decisions during drug development. Clin Pharmacol Ther. 2012; 92(3) : 283-286.
[15] Vicini P, van der Graaf PH. Systems pharmacology for drug discovery and development: paradigm shift or flash in the pan. Clin Pharmacol Ther, 2013, 93 (5) : 379-381.
[16] Dayneka NL, Garg V, Jusko WJ. Comparison of four basic models of indirect pharmacodynamic responses. J Pharmacokinet Biopharm. 1993; 21(4) : 457-478.
[17] Sheiner LB. Learning versus confirming in clinical drug development. Clin Pharmacol Ther. 1997; 61 (3) : 275-291.
[18] EMA. Guideline on the qualification and reporting of physiologically based pharmacokinetic ( PBPK) modelling and simulation [EB/OL]. [2016-7-29].
http://www.ema.europa.eu/docs/en-GB/document-library/Scientific-guideline/2016 /07/WC500211315. pdf.
[19] FDA. Physiologically based pharmacokinetic analyses- format and content guidance for industry [EB/OL]. [2016-12-01]. https://www.fda.gov/downloads/ drugs/guidancecomplianceregulatoryinformation /guid- ances/ucm531207.pdf.
[20] Ke A, Barter Z, Rowland-Yeo K, Almond L. Towards a Best Practice Approach in PBPK Modeling: Case Example of Developing a Unified Efavirenz Model Accounting for Induction of CYPs 3A4 and 2B6. CPT Pharmacometrics Syst Pharmacol. 2016;5(7):367-76.
[21] Zhao P. Report from EMA workshop on qualification and reporting of physiologically-based pharmacokinetic (PBPK) modelling and simulation. CPT Pharmacometrics Syst Pharmacol, 2017, 6(2) : 71-72.
[22] van der Graaf PH, Benson N. The role of quantitative systems pharmacology in the design of fifirst-in-human trials. Clin Pharmacol Ther. 2018; 104(5):797.
[23] Liu DY, Wang K, Ma GL, Xiang XQ, Liu J, Zhao P. The value and general considerations of quantitative pharmacology research in new drug development. Chinese Clin Pharmacology and Therapeutics. 2018; 23(9): 961-973.
[24] Chen B, Dong JQ, Pan WJ, Ruiz A. Pharmacokinetics/pharmacodynamics model-supported early drug development. Curr Pharm Biotechnol. 2012;13(7):1360-1375.
[25] Lavé T, Caruso A, Parrott N, Walz A. Translational PK/PD modeling to increase probability of success in drug discovery and early development. Drug Discov Today Technol. 2016; 21-22:27-34.
[26] Wong H, Bohnert T, Damian-Iordache V, et al. Translational pharmacokinetic-pharmacodynamic analysis in the pharmaceutical industry: an IQ Consortium PK-PD Discussion Group perspective. Drug Discov Today. 2017;22(10):1447-1459.
[27] Sorger PK, Altman RB, Brouwer KLR, Califano A, D'Argenio DZ. Quantitative and Systems Pharmacology in the Post-genomic Era: New Approaches to Discovering Drugs and Understanding Therapeutic Mechanisms. 2011.
[28]Bradshaw EL, Spilker ME, Zang R, Bansal L, He H, Jones RDO, Le K, Penney M, Schuck E, Topp B, Tsai A, Xu C, Nijsen MJMA, Chan JR. Applications of Quantitative Systems Pharmacology in Model-Informed Drug Discovery: Perspective on Impact and Opportunities. CPT Pharmacometrics Syst Pharmacol. 2019; 8(11):777-791.
[29] Richiardi J, Altmann A, Milazzo A-C, Chang C, Chakravarty MM, Banaschewski T, Barker GJ, Bokde ALW, Bromberg U, Buchel C, Conrod P, Fauth-Buhler M, Flor H, Frouin V, Gallinat J, Garavan H, Gowland P, Heinz A, Lemaitre H, Mann KF, Martinot J-L, Nees F, Paus T, Pausova Z, Rietschel M, Robbins TW, Smolka MN, Spanagel R, Strohle A, Schumann G, Hawrylycz M, Poline J-B, Greicius MD. Correlated gene expression supports synchronous activity in brain networks. Science.2015; 348:1241-1244.
[30] Chen R, Wang J, Zhan R, Zhang L, Wang X. Integrated Systems Pharmacology, Urinary Metabonomics, and Quantitative Real-Time PCR Analysis to Uncover Targets and Metabolic Pathways of the You-Gui Pill in Treating Kidney-Yang Deficiency Syndrome. Int J Mol Sci. 2019;20(15):3655.
[31]Ruiz-Cerdá ML, Irurzun-Arana I, González-Garcia I, Hu C, Zhou H, Vermeulen A, Trocóniz IF, Gómez-Mantilla JD. Towards patient stratification and treatment in the autoimmune disease lupus erythematosus using a systems pharmacology approach. Eur J Pharm Sci. 2016; 94:46-58.
[32] Fleisher B, Brown AN, Ait-Oudhia S. Application of pharmacometrics and quantitative systems pharmacology to cancer therapy: The example of luminal a breast cancer. Pharmacol Res. 2017;124:20-33.
[33] Stites EC, Shaw AS. Quantitative Systems Pharmacology Analysis of KRAS G12C Covalent Inhibitors. CPT Pharmacometrics Syst Pharmacol. 2018; 7(5):342-351.
[34] Geerts H, Wikswo J, van der Graaf PH, Bai JPF, Gaiteri C, Bennett D, Swalley SE, Schuck E, Kaddurah-Daouk R, Tsaioun K, Pelleymounter M. Quantitative Systems Pharmacology for Neuroscience Drug Discovery and Development: Current Status, Opportunities, and Challenges. CPT Pharmacometrics Syst Pharmacol. 2020; 9(1):5-20.
[35] Gobburu JV. Pharmacometrics 2020. J Clin Pharmacol, 2010; 50(9 Suppl): 151S-157S.
[36] Yildirim MA, Goh KI, Cusick ME, Barabási AL, Vidal M. Drug-target network. Nat Biotechnol. 2007; 25(10):1119-1126.
[37] Yu H, Chen J, Xu X, Li Y, Zhao H, Fang Y, Li X, Zhou W, Wang W, Wang Y. A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data. PLoS One. 2012;7(5):e37608.
[38] Wang YY. System Biology and the Development of Chinese Medicine-The Relationship between System Theory and Reduction Theory in Chinese Medicine Research. Word Sci Technol Mod Tradit Chin Med. 2007; 9(1): 70-73,79.
[39] Zhao YJ, Li F, Shi BB, Li Y. Pharmacology of Traditional Chinese Medicine System Ⅱ: Application Progress in Drug Development and Compound Research. Liaoning Journal of Traditional Chinese Medicine. 2020; 47(3): 213-220
[40] Zhang RF, Song XY. Survey of pharmacokinetics research of traditional Chinese medicine. Chinese and Foreign Health Digest. 2013; (27): 645-649
[41] Xing PL, Liu CS. Analysis on the bottleneck of Chinese medicine development and its development trend. Daqing She Hui Ke Xue. 2012; (1):88-89.
[42] Qiu J. 'Back to the future' for Chinese herbal medicines. Nature reviews. Drug discovery. 2007; (6):506-507.
[43] Verpoorte R, Crommelin D, Danhof M, Gilissen LJ, Schuitmaker LF, vander Greef J, Witkamp RF. Commentary: A systems view on the future of medicine: inspiration from Chinese medicine?. Journal of ethnopharmacology. 2009; 121(3): 479-481.
[44] Ke-Yong N, Min L. Application of morbid animal model in drug safety evaluation of traditional Chinese medicine. Front Pharmacol. 2015; 6:37
[45] Li L, Liu JX, Ren JX, Guo H, Lin CR. Zhongguo Zhong Yao Za Zhi. 2017; 42(2):254-258.
[46] Chen JC, Liu JX, Lin CR, Ren JG, Li L, Guo H. Zhongguo Zhong Yao Za Zhi. 2018; 43(11):2177-2183.
[47] Zhang HQ. The development direction of Chinese medicine. Zhongguo Min Zu Min Jian Yi Yao. 2010; 4: 6-7
[48] Wu PX, Wang XX, Liu Yan. Comparison between Syndrome Differentiation and Treatment of Traditional Chinese Medicine and Precision Medicine. She Jie Ke Xue Ji Shu (Zhong Yi Yao Xian Dai Hua). 2016; 18(8):1219-1223.
[49] Wang YH, Li Y. Systematic pharmacology principle method and application. Da Lian Li Gong University Press. 2016. 9
[50] Shu Z, Wu T, Shahen M, Guo Z, Shu J, Wang HE, Shar AH, Farag MR, Alagawany M, El-Hack MEA, Liu C. System-Pharmacology Dissection of Traditional Chinese herbs SINI Decoction for Treatment of Cardiovascular Diseases. An Acad Bras Cienc. 2019 ;91(3):e20180424.
[51] Wang D, Gu J, Zhu W, Luo F, Chen L, Xu X, Lu C. PDTCM: a systems pharmacology platform of traditional Chinese medicine for psoriasis. Ann Med. 2017;49(8):652-660.
[52] Pan GF, Zhu XX, Zhang XD. Studies on System Biology and Effective Components of Traditional Chinese Medicine. She Jie Ke Xue Ji Shu (Zhong Yi Yao Xian Dai Hua). 2008,10(2):5-11.
[53] Hao DC, Xiao PG. Impact of Drug Metabolism/Pharmacokinetics and their Relevance Upon Traditional Medicine-based Cardiovascular Drug Research. Curr Drug Metab. 2019; 20(7):556-574.
[54] Hao DC, Ge GB, Xiao PG, Wang P, Yang L. Drug metabolism and pharmacokinetic diversity of ranunculaceae medicinal compounds. Curr Drug Metab. 2015;16(4):294-321.
[55] LuY, Liu B, Ji N. New Ideas on Basic Research of Traditional Chinese Medicine-System Biology. Chinese Med Clin Res. 2010; 2(19): 108-109.
[56] Li Z, Liu J, Zhang D, Du X, Han L, Lv C, Li Y, Wang R, Wang B, Huang Y. Nuciferine and paeoniflorin can be quality markers of Tangzhiqing tablet, a Chinese traditional patent medicine, based on the qualitative, quantitative and dose-exposure-response analysis. Phytomedicine. 2018;44:155-163.
[57] Zhang X, Liu T, Fan X, Ai N. In silico modeling on ADME properties of natural products: Classification models for blood-brain barrier permeability, its application to traditional Chinese medicine and in vitro experimental validation. J Mol Graph Model. 2017;75:347-354.
[58] CFDA. Technical guidelines for clinical trial data management [EB/OL]. [2016-7-27]. http: //www.cde.org.cn /zdyz. do? method = largePage＆id = 271．
[59] CFDA. Guiding principles for planning and reporting of drug clinical trial data management and statistical analysis [EB/OL]. [2016-7-27]. http:// www.cde.org.cn /zdyz.do? method =largePage＆id = 270.
[60] CFDA. General considerations for drug clinical trials [EB/OL].[2017-1-18]. http: //www.cde.org.cn /zdyz. do? method = largePage＆id = 263.
[61] CFDA.Guiding principles for pharmacokinetic research techniques in patients with liver damage[EB/OL].[2012-5-15]. http: //www. Cde.org.cn /zdyz. do? method = largePage＆id = 150.
[62] CFDA.Guiding principles for pharmacokinetic research techniques in patients with renal impairment [EB/OL].[2012-5-15]. http://www.cde.org.cn /zdyz.do? method = largePage＆id = 145.
[63] CFDA.Guiding principles for drug interaction studies [EB/OL].[2012-5-15]. http: //www.cde. Org. cn /zdyz. do? method = largePage＆id = 147.
[64] CFDA.Technical guidelines for extrapolation of medication data to the pediatric population [EB/OL]. [2017-5-18]. http: //www.cde.org.cn/zdyz.do? method= largePage＆id = 262.
[65] CFDA. Guiding principles for pharmacokinetic research techniques in pediatric population [EB/OL]. [2014-7-11]. http://www.cde.org.cn/zdyz.do?method= largePage＆id = 241.
[66] CFDA. Guiding Principles for Research on Antimicrobial Breakpoints (Draft for Online Comment) [EB/OL]. [2017-8-18]. http://www. Cde.org. cn/search.do? method = searchTitle.
[67] Fang J, Wu Z, Cai C, Wang Q, Tang Y, Cheng F. Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy. J Chem Inf Model. 2017; 57(11):2657-2671.
[68] Wu Z, Lu W, Yu W, Wang T, Li W, Liu G, Zhang H, Pang X, Huang J, Liu M, Cheng F, Tang Y. Quantitative and systems pharmacology 2. In silico polypharmacology of G protein-coupled receptor ligands via network-based approaches. Pharmacol Res. 2018; 129:400-413.
[69] Fang J, Gao L, Ma H, Wu Q, Wu T, Wu J, Wang Q, Cheng F. Quantitative and Systems Pharmacology 3. Network-Based Identification of New Targets for Natural Products Enables Potential Uses in Aging-Associated Disorders. Front Pharmacol. 2017;8:747.
[70] Fang J, Cai C, Chai Y, Zhou J, Huang Y, Gao L, Wang Q, Cheng F. Quantitative and systems pharmacology 4. Network-based analysis of drug pleiotropy on coronary artery disease. Eur J Med Chem. 2019;161:192-204.
[71] Milberg O, Gong C, Jafarnejad M, Bartelink IH, Wang B, Vicini P, Narwal R, Roskos L, Popel AS. A QSP Model for Predicting Clinical Responses to Monotherapy, Combination and Sequential Therapy Following CTLA-4, PD-1, and PD-L1 Checkpoint Blockade. Sci Rep. 2019;9(1):11286.
[72] Stroh M, Sagert J, Burke JM, Apgar JF, Lin L, Millard BL, Michael Kavanaugh W. Quantitative Systems Pharmacology Model of a Masked, Tumor-Activated Antibody. CPT Pharmacometrics Syst Pharmacol. 2019; 8(9):676-684.
[73] Wang H, Milberg O, Bartelink IH, Vicini P, Wang B, Narwal R, Roskos L, Santa-Maria CA, Popel AS. In silico simulation of a clinical trial with anti-CTLA-4 and anti-PD-L1 immunotherapies in metastatic breast cancer using a systems pharmacology model. R Soc Open Sci. 2019; 6(5):190366.
[74] Betts A, Haddish-Berhane N, Shah DK, van der Graaf PH, Barletta F, King L, Clark T, Kamperschroer C, Root A, Hooper A, Chen X. A Translational Quantitative Systems Pharmacology Model for CD3 Bispecific Molecules: Application to Quantify T Cell-Mediated Tumor Cell Killing by P-Cadherin LP DART®. AAPS J. 2019; 21(4):66.
[75] Hardiansyah D, Ng CM. Quantitative Systems Pharmacology Model of Chimeric Antigen Receptor T-Cell Therapy. Clin Transl Sci. 2019;12(4):343-349.
[76] Hampel H, Lista S, Mango D, Nisticò R, Perry G, Avila J, Hernandez F, Geerts H, Vergallo A; Alzheimer Precision Medicine Initiative (APMI). Lithium as a Treatment for Alzheimer's Disease: The Systems Pharmacology Perspective. J Alzheimers Dis. 2019; 69(3):615-629.
[77] Clausznitzer D, Pichardo-Almarza C, Relo AL, van Bergeijk J, van der Kam E, Laplanche L, Benson N, Nijsen M. Quantitative Systems Pharmacology Model for Alzheimer Disease Indicates Targeting Sphingolipid Dysregulation as Potential Treatment Option. CPT Pharmacometrics Syst Pharmacol. 2018; 7(11):759-770.
[78] Geerts H, Spiros A, Roberts P. Impact of amyloid-beta changes on cognitive outcomes in Alzheimer's disease: analysis of clinical trials using a quantitative systems pharmacology model. Alzheimers Res Ther. 2018;10(1):14-21.
[79] Geerts H, Spiros A, Roberts P, Carr R. Towards the virtual human patient. Quantitative Systems Pharmacology in Alzheimer's disease. Eur J Pharmacol. 2017; 817:38-45.
[80] Helmlinger G, Sokolov V, Peskov K, Hallow KM, Kosinsky Y, Voronova V, Chu L, Yakovleva T, Azarov I, Kaschek D, Dolgun A, Schmidt H, Boulton DW, Penland RC. Quantitative Systems Pharmacology: An Exemplar Model-Building Workflow With Applications in Cardiovascular, Metabolic, and Oncology Drug Development. CPT Pharmacometrics Syst Pharmacol. 2019; 8(6):380-395.
[81] Gaillard-Bigot F, Zendjidjian XY, Kheloufi F, Casse-Perrot C, Guilhaumou R, Micallef J, Fakra E, Azorin JM, Blin O. Quantitative System Pharmacology (QSP): An Integrative Framework for paradigm change in the treatment of the first-episode schizophrenia. Encephale. 2018; 44(6S):S34-S38.
[82] Traynard P, Tobalina L, Eduati F, Calzone L, Saez-Rodriguez J. Logic Modeling in Quantitative Systems Pharmacology. CPT Pharmacometrics Syst Pharmacol. 2017; 6(8):499-511.
[83] Ribba B, Grimm HP, Agoram B, Davies MR, Gadkar K, Niederer S, van Riel N, Timmis J, van der Graaf PH. Methodologies for Quantitative Systems Pharmacology (QSP) Models: Design and Estimation. CPT Pharmacometrics Syst Pharmacol. 2017; 6(8):496-498.
[84] Elmokadem A, Riggs MM, Baron KT. Quantitative Systems Pharmacology and Physiologically-Based Pharmacokinetic Modeling With mrgsolve: A Hands-On Tutorial. CPT Pharmacometrics Syst Pharmacol. 2019; 8(12):883-893.
Authors
Meng, F., & Tao, X. . (2020). Application value of quantitative system pharmacology in drug discovery for traditional Chinese medicine. Journal of Medical Care Research and Review, 3(9), 425–436. https://doi.org/10.15520/mcrr.v3i9.113
Copyright and license info is not available