Quality by Design in lead optimization: A new strategy to address productivity in drug discovery

Current Opinion in Pharmacology

Volumn 11, Issue 5, 2011, Pages 515-520

  Rossi, Tino ^a,b   Braggio, Simone ^a  

^a Aptuit Inc   (United States)

^b GSK   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CENTRAL NERVOUS SYSTEM AGENTS; NEUROLEPTIC AGENT;

ANALYTIC METHOD; ARTICLE; CARDIOTOXICITY; CENTRAL NERVOUS SYSTEM DISEASE; DRUG DESIGN; DRUG EFFICACY; DRUG IDENTIFICATION; DRUG MANUFACTURE; DRUG MARKETING; DRUG QUALITY; DRUG SAFETY; HUMAN; LIVER TOXICITY; NONHUMAN; PARTIAL LATIN SQUARE ANALYSIS; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROCESS OPTIMIZATION;

EID: 80053122156     PISSN: 14714892     EISSN: 14714973     Source Type: Journal    
DOI: 10.1016/j.coph.2011.05.004     Document Type: Review

References (31)

1. A. Mullard 2010 FDA drug approvals Nat Rev Drug Disc 10 2011 82 85
2. Pharma R&D Annual Review 2010, http://www.pharmaprojects.com.
3. S.M. Paul, D.S. Mytelka, C.T. Dunwiddie, C.C. Persinger, B.H. Munos, S.R. Lindborg, and A.l. Schacht How to improve R&D productivity: the pharmaceutical industry's grand challenge Nat Rev Drug Discov 9 2010 203 214
4. I. Kola, and J. Landis Can the pharmaceutical industry reduce attrition rates? Nat Rev Drug Discov 3 2004 711 718
5. T.I. Oprea, A.M. Davis, S.J. Teague, and P.D. Leeson Is there a difference between leads and drugs? A historical perspective J Chem Inf Comput Sci 41 2001 1308 1315
6. C.A. Lipinski, F. Lombardo, B.W. Dominy, and P.J. Feeney Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv Drug Del Rev 46 2001 3 26 (Pubitemid 33653411)
7. A.L. Hopkins, C.R. Groom, and A. Alex Ligand efficiency: a useful metric for lead selection Drug Disc Today 9 2004 430 431 (Pubitemid 38510559)
8. G.M. Keserü, and G.M. Makara The influence of lead discovery strategies on the properties of drug candidates Nat Rev Drug Discov 8 2009 203 212
9. P.D. Leeson, and B. Springthorpe The influence of drug-like concepts on decision-making in medicinal chemistry Nat Rev Drug Discov 6 2007 881 890 (Pubitemid 350042396)
10. M.P. Gleeson Plasma protein binding affinity and its relationship to molecular structure: an in-silico analysis J Med Chem 51 2008 817 834
11. J.D. Hughes, J. Blagg, D.A. Price, S. Bailey, G.A. DeCrescenzo, R.V. Devraj, E. Ellsworth, Y.M. Fobian, M.E. Gibbs, and R.W. Gilles Physiochemical drug properties associated with in vivo toxicological outcomes Bioorg Med Chem Lett 18 2008 4872 4875
12. J.M. Juran Juran on Quality by Design: The New Steps for Planning Quality into Goods and Services 1992 The Free Press ISBN 0-02-916683-7
13. L.X. Yu Pharmaceutical quality by design: product and process development understanding and control Pharm Res 25 2008 781 791
14. Braggio S: Oral communication at 2nd Drug Development Congress 2010, Montreux (CH), 9-10 June 2010.
15. T.T. Wager, R.Y. Chandrasekaran, X. Hou, M.D. Troutman, P.R. Verhoest, A. Villalobos, and Y. Will Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME and safety attributes ACS Chem Neurosci 1 2010 420 434
16. T.T. Wager, X. Hou, M.D. Troutman, P.R. Verhoest, and A. Villalobos Moving beyond rules: the development of central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of drgulike properties ACS Chem Neurosci 1 2010 435 449
17. M.P. Gleeson, A. Hersey, D. Montanari, and J. Overington Probing the links between in vitro potency, ADMET and physicochemical parameters Nat Rev Drug Discov 10 2011 197 208
18. S. Braggio, D. Montanari, T. Rossi, and E. Ratti Drug efficiency: a new concept to guide lead optimization programs towards the selection of better clinical candidates Expert Opin Drug Discov 5 2010 609 618
19. R. Katz Biomarkers and surrogate markers: an FDA perspective NeuroRx 1 2004 189 195 (Pubitemid 46604746)
20. H. Hurko, and G.K. Jones Valuation of biomarkers Nat Rev Drug Discov 10 2011 253 254
21. K. Read, and S. Braggio Assessing brain free fraction in early drug discovery Expert Opin Drug Metab Toxicol 6 2010 337 344
22. S. Grimwood, and P.R. Hartig Target site occupancy: emerging generalization from clinical and preclinical studies Pharmacol Ther 122 2009 281 301
23. R.A. Copelan The dynamics of drug-target interactions: drug target residence time and its impact on efficacy and safety Expert Opin Drug Discov 5 2010 305 310
24. R. Zhang, and F. Monsma Binding kinetics and mechanism of action: toward the discovery and development of better and best in class drugs Expert Opin Drug Discov 5 2010 1023 1029
25. D.J. Pelletier, D. Gehlhaar, A. Tilloy-Ellul, T.O. Johnson, and N. Greene Evaluation of a published in silico model and construction of a novel Bayesian model for predicting phospholipidosis inducing potential J Chem Inf Model 47 2007 1196 1205 (Pubitemid 46973733)
26. U.M. Hanumegowda, G. Wenke, A. Regueiro-Ren, R. Yordanova, J.P. Corradi, and S.P. Adams Phospholipidosis as a function of basicity, lipophilicity, and volume of distribution of compounds Chem Res Toxicol 23 2010 749 755
27. J. Uetrect Prediction of a new drug potential to cause idiosyncratic reactions Curr Opin Drug Discov Dev 4 2001 55 59
28. A.S. Kalutkar, I. Gardner, R.S. Obach, C.L. Shaffer, E. Callegari, K.R. Henne, A.E. Mutlib, D.K. Dalvie, J.S. Lee, and Y. Nakai A Comprehensive listing of bioactivation pathways of organic functional groups Curr Drug Metabol 6 2005 161 225 (Pubitemid 40753853)
29. C. Prakash, R. Sharma, M. Gleave, and A. Nedderman In vitro screening techniques for reactive metabolites for minimizing the bioactivation potential in drug discovery Curr Drug Metabol 9 2008 952 964
30. J. Uetrecht Role of animal models in the study of drug induced hypersensitivity reactions AAPS J 7 2006 E914 E921
31. N.A. Buckley, and P. Sanders Cardiovascular adverse effects of antipsychotic drugs Drug Safety 23 2000 215 228