Simplified models for heterobivalent ligand binding: When are they applicable and which are the factors that affect their target residence time

Naunyn-Schmiedeberg's Archives of Pharmacology

Volumn 386, Issue 11, 2013, Pages 949-962

  Vauquelin, Georges ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

Avidity; Binding mechanism; Bivalent ligand; Rebinding; Residence time; Simulations

Indexed keywords

BIVALENT LIGAND; LIGAND; PEPTIDE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DISSOCIATION CONSTANT; DRUG TARGETING; ISOMERIZATION; LIGAND BINDING; MODEL; MOLECULE; PHARMACOPHORE; THERMODYNAMICS; TIME;

COMPUTER SIMULATION; LIGANDS; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS;

EID: 84885949138     PISSN: 00281298     EISSN: 14321912     Source Type: Journal    
DOI: 10.1007/s00210-013-0881-0     Document Type: Article

References (54)

1. Charlton S, Vauquelin G (2010) Elusive equilibrium: the challenge of interpreting receptor pharmacology using calcium assays. Brit J Pharmacol 161:1250-1265
2. Christensen LLH (1997) Theoretical analysis of protein concentration determination using biosensor technology under conditions of partial mass transport limitation. Anal Bioch 249:153-164
3. Christopoulos A (2002) Allosteric binding sites on cell-surface receptors, novel targets for drug discovery. Nat Rev Drug Discov 1:198-210
4. Christopoulos A, Kenakin T (2002) G protein-coupled receptor allosterism and complexing. Pharmacol Rev 54:323-374
5. Coombs D, Goldstein B (2004) Effects of geometry of the immunological synapse on the delivery of effector molecules. Biophys J 87:2215-2220
6. Copeland RA (2010) The dynamics of drug-target interactions: drug-target residence time and its impact on efficacy and safety. Expert Opin Drug Discov 5:305-510
7. Copeland RA (2011) Conformational adaptation of drug-target interactions and residence time. Future Med Chem 3:1491-1501
8. Copeland RA, Pompliano DL, Meek TD (2006) Drug-target residence time and its implications for lead optimization. Nat Rev Drug Discov 5:730-739
9. Daum S, Lücke C, Wildeman D, Schiener-Fischrer C (2007) On the benefit of bivalency in peptide ligand/Pin1 interactions. J Mol Biol 374:147-161
10. De Meyts P, Gauguin L, Manegold Svendsen A, Sarhan M, Knudsen L, Nohr J et al (2009) Ann N Y Acad Sci 160:45-53
11. DeLisi C (1981) The effect of cell size and receptor density on ligand-receptor reaction rate constants. Mol Immunol 18:507-511
12. DeLisi C, Wiegel FW (1981) Effect of nonspecific forces and finite receptor number on rate constants of ligand-cell bound-receptor interactions. Proc Natl Acad Sci USA 78:5569-5572
13. Goldstein B, Dembo M (1995) Approximating the effects of diffusion on reversible reactions at the cell surface: ligand-receptor kinetics. Biophys J 68:1222-1230
14. Goldstein B, Posner RG, Torney DC, Erickson J, Holowka D, Baird B (1989) Competition between solution and cell surface receptors for ligand. Dissociation of hapten bound to surface antibody in the presence of solution antibody. Biophys J 56:955-966
15. 2A receptor agonists is positively correlated to their receptor residence time. Brit J Pharmacol 166:1846-1959
16. Hoare SRJ (2007) Allosteric modulators of class B G-protein-coupled receptors. Curr Neuropharmacol 5:168-179
17. Holliger P, Hudson PJ (2005) Engineered antibody fragments and the rise of single domains. Nat Biotechnol 23:1126-1136
18. Hudson PJ, Kortt AA (1999) High avidity scFv multimers; diabodies and triabodies. J Immunol Meth 231:177-189
19. Kamal M, Jockers R (2009) Bitopic ligands, all-in-one orthostetic and allosteric. F1000 Biol Reports 1, 77. doi: 10.3410/B1-77
20. Kaufman EN, Jain RK (1992) Effect of bivalent interaction upon apparent antibody affinity: experimental confirmation of a theory using fluorescence photobleaching and implications for antibody binding assays. Cancer Res 52:4157-4167
21. Kramer RH, Karpen JW (1998) Spanning biding sites on allosteric proteins with polymer-linked ligand dimers. Nature 395:710-713
22. Lane JR, Sexton PM, Christopoulos A (2013) Bridging the gap: bitopic ligands of G-protein-coupled receptors. Trends Pharmacol Sci 34:59-65
23. Lefkowitz RJ, Pierce KL, Luttrell LM (2002) Dancing with different partners: protein kinase a phosphorylation of seven membrane-spanning receptors regulates their G protein-coupling specificity. Mol Pharmacol 62:971-974
24. Lu H, Tonge PJ (2010) Drug-target residence time: critical information for lead optimization. Curr Opin Chem Biol 14:467-474
25. Luttrell LM, Lefkowitz RJ (2002) The role of beta-arrestins in the termination and transduction of G-protein-coupled receptor signals. J Cell Sci 115:455-465
26. Mammen M, Choi W-K, Whitesides GM (1998) Polyvalent interactions in biological systems: Implications for design and use of multivalent ligands and inhibitors. Angew Chem Int 37:2754-2794
27. Mohr K, Tränkle C, Kostenis E, Barocelli E, De Amici M, Holzgrabe U (2010) Rational design of dualsteric GPCR ligands: quests and promise. Br J Pharmacol 159:997-1008
28. Morrison JF (1982) The slow-binding and slow, tight-binding inhibition of enzyme-catalysed reactions. Trends Biochem Sci 7:102-105
29. Müller KM, Arndt KM, Plückthun A (1998) Model and simulation of multivalent binding to fixed ligands. Anal Biochem 261:149-158
30. Núñez S, Venhorst J, Kruse CG (2012) Target-drug interactions: first principles and their application to drug discovery. Drug Discov Today 17:10-22
31. Perry DC, Mullis KB, Øie S, Sadée W (1980) Opiate antagonist receptor binding in vivo:evidence for a new receptor binding model. Brain Res 199:49-61
32. Plückthun A, Pack P (1997) New protein engineering approaches to multivalent and bispecific antibody fragments. Immunotechnol 3:83-105
33. Rudnick SI, Adams GP (2009) Affinity and avidity an antibody-based tumor targeting. Cancer Biother Radiopharm 24:155-161
34. Schuck P, Minton AP (1996) Analysis of mass transport-limited binding kinetics in evanescent wave biosensors. Anal Bioch 240:262-272
35. 2 muscarinic receptor. Mol Pharmacol 72:291-302
36. Strickland S, Palmer G, Massey V (1975) Determination of dissociation constants and specific rate constants of enzyme-substrate (or protein-ligand) interactions from rapid reaction kinetic data. J Biol Chem 250:4048-4052
37. Swinney DC (2004) Biochemical mechanisms of drug action: what does it take for success? Nat Rev Drug Discov 3:801-808
38. Swinney DC (2006) Can binding kinetics translate to a clinically differentiated drug? From theory to practice. Lett Drug Des Discov 3:569-574
39. Swinney DC (2009) The role of binding kinetics in therapeutically useful drug action. Curr Opin Drug Discov Devel 12:31-39
40. 3 receptor. Mol Pharmacol 76:543-551
41. 2- adrenoceptor agonist salmeterol. Br J Pharmacol 158:183-194
42. Tummino PJ, Copeland RA (2008) Residence time of receptor-ligand complexes and its effect on biological function. Biochemistry 47:5481-5492
43. Urizar E, Montanelli L, Loy T, Bonomi M, Swillens S, Gales C et al (2005) Glycoprotein hormone receptors: link between receptor homodimerization and negative cooperativity. EMBO J 24:1954-1964
44. Valant C, Lane JR, Sexton PM, Christopoulos A (2012) The best of two worlds? Bitopic orthostetic/allosteric ligands of G protein-coupled receptors. Annu Rev Pharmacol Toxicol 52:153-178
45. Vauquelin G (2010) Rebinding, or why drugs may act longer in vivo than expected from their in vitro target residence time. Expert Opin Drug Discov 5:927-941
46. Vauquelin G, Charlton S (2010) Long-lasting target binding and rebinding as mechanisms to prolong in vivo drug action. Brit J Pharmacol 161:488-508
47. Vauquelin G, Charlton S (2013) Exploring avidity: understanding the potential gains in functional affinity and target residence time of bivalent and heterobivalent ligands. Brit J Pharmacol doi: 10.1111/bph.12106
48. Vauquelin G, Van Liefde I (2006) From slow antagonist dissociation to long-lasting receptor protection. Trends Pharmacol Sci 27:355-359
49. Vauquelin G, Van Liefde I (2012) Radioligand dissociation measurements: potential interference of rebinding and allosteric mechanisms and physiological relevance of different model systems. Expert Opin Drug Discov 7:583-595
50. 1 receptors and their non-peptide antagonists. Biochem Pharmacol 61:277-284
51. Vauquelin G, Bostoen S, Vanderheyden P, Seeman P (2012) Clozapine, atypical antipsychotics and the benefits of fast-off D2 dopamine receptor antagonism. Naunyn-Schmiedeberg's Arch Pharmacol 385:337-372
52. Weber M, Bujotzek A, Haag R (2012) Quantifying the rebinding effect in multivalent chemical ligand-receptor systems. J Chem Phys 137. doi: 054111-1-054111-10
53. Yu EW, Koshland DE (2001) Propagating conformational changes over long (and short) distances in proteins. Proc Natl Acad Sci USA 98:9517-9520
54. Zhang R, Monsma F (2009) The importance of drug-target residence time. Curr Opin Drug Discov Devel 12:488-496