메뉴 건너뛰기




Volumn 171, Issue 14, 2014, Pages 3364-3375

A study of the molecular mechanism of binding kinetics and long residence times of human CCR5 receptor small molecule allosteric ligands

Author keywords

allosteric; binding kinetics; CCR5; HIV 1 infection; maraviroc; molecular mechanism of action; pharmacology

Indexed keywords

APLAVIROC; CHEMOKINE RECEPTOR CCR5; MARAVIROC; VICRIVIROC; CCR5 PROTEIN, HUMAN; CHEMOKINE RECEPTOR CCR5 ANTAGONIST; CYCLOHEXANE DERIVATIVE; LIGAND; TRIAZOLE DERIVATIVE;

EID: 84903211679     PISSN: 00071188     EISSN: 14765381     Source Type: Journal    
DOI: 10.1111/bph.12683     Document Type: Article
Times cited : (54)

References (45)
  • 2
    • 0015861774 scopus 로고
    • Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (IC50) of an enzymatic reaction
    • Cheng Y, Prusoff WH, (1973). Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (IC50) of an enzymatic reaction. Biochem Pharmacol 22: 3099-3108.
    • (1973) Biochem Pharmacol , vol.22 , pp. 3099-3108
    • Cheng, Y.1    Prusoff, W.H.2
  • 3
    • 77950197835 scopus 로고    scopus 로고
    • The dynamics of drug-target interactions: Drug-target residence time and its impact on efficacy and safety
    • Copeland R, (2010). The dynamics of drug-target interactions: drug-target residence time and its impact on efficacy and safety. Expert Opin Drug Discov 5: 305-310.
    • (2010) Expert Opin Drug Discov , vol.5 , pp. 305-310
    • Copeland, R.1
  • 4
    • 80052462704 scopus 로고    scopus 로고
    • Conformational adaptation in drug-target interactions and residence time
    • Copeland RA, (2011). Conformational adaptation in drug-target interactions and residence time. Future Med Chem 3: 1491-1501.
    • (2011) Future Med Chem , vol.3 , pp. 1491-1501
    • Copeland, R.A.1
  • 5
    • 33748325882 scopus 로고    scopus 로고
    • Drug-target residence time and its implications for lead optimization
    • Copeland RA, Pompliano DL, Meek TD, (2006). Drug-target residence time and its implications for lead optimization. Nat Rev Drug Discov 5: 730-739.
    • (2006) Nat Rev Drug Discov , vol.5 , pp. 730-739
    • Copeland, R.A.1    Pompliano, D.L.2    Meek, T.D.3
  • 6
    • 3342901596 scopus 로고    scopus 로고
    • 'Induced-fit' mechanism for catecholamine binding to the beta2-adrenergic receptor
    • Del Carmine R, Molanari P, Sbraccia M, Ambrosio C, Costa T, (2004). 'Induced-fit' mechanism for catecholamine binding to the beta2-adrenergic receptor. Mol Pharmacol 66: 356-363.
    • (2004) Mol Pharmacol , vol.66 , pp. 356-363
    • Del Carmine, R.1    Molanari, P.2    Sbraccia, M.3    Ambrosio, C.4    Costa, T.5
  • 7
    • 51849148494 scopus 로고    scopus 로고
    • In vitro and clinical investigation of the relationship between CCR5 receptor occupancy and anti-HIV activity of aplaviroc
    • Demarest JF, Sparks SS, Schell K, Shibayama S, McDanal CB, Fang L, et al. (2008). In vitro and clinical investigation of the relationship between CCR5 receptor occupancy and anti-HIV activity of aplaviroc. J Clin Pharmacol 48: 1179-1188.
    • (2008) J Clin Pharmacol , vol.48 , pp. 1179-1188
    • Demarest, J.F.1    Sparks, S.S.2    Schell, K.3    Shibayama, S.4    McDanal, C.B.5    Fang, L.6
  • 8
    • 0034625144 scopus 로고    scopus 로고
    • A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5
    • Dragic T, Trkola A, Thompson DA, Cormier EG, Kajumo FA, Maxwell E, et al. (2000). A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5. Proc Natl Acad Sci USA 97: 5639-5644.
    • (2000) Proc Natl Acad Sci USA , vol.97 , pp. 5639-5644
    • Dragic, T.1    Trkola, A.2    Thompson, D.A.3    Cormier, E.G.4    Kajumo, F.A.5    Maxwell, E.6
  • 9
    • 33745370466 scopus 로고    scopus 로고
    • Modeling of the structural basis of human CCR5 chemokine receptor function: From homology model building and molecular dynamics validation to agonist and antagonist docking
    • Fano A, Ritchie W, Carrieri A, (2006). Modeling of the structural basis of human CCR5 chemokine receptor function: from homology model building and molecular dynamics validation to agonist and antagonist docking. J Chem Inf Model 46: 1223-1235.
    • (2006) J Chem Inf Model , vol.46 , pp. 1223-1235
    • Fano, A.1    Ritchie, W.2    Carrieri, A.3
  • 10
    • 30744447460 scopus 로고    scopus 로고
    • Efficacy of short-term monotherapy with maraviroc, a new CCR5 antagonist, in patients infected with HIV-1
    • Fatkenheuer G, Pozniak AL, Johnson MA, Plettenberg A, Staszewski S, Hoeplman AI, et al. (2005). Efficacy of short-term monotherapy with maraviroc, a new CCR5 antagonist, in patients infected with HIV-1. Nat Med 11: 1170-1172.
    • (2005) Nat Med , vol.11 , pp. 1170-1172
    • Fatkenheuer, G.1    Pozniak, A.L.2    Johnson, M.A.3    Plettenberg, A.4    Staszewski, S.5    Hoeplman, A.I.6
  • 11
    • 0032587233 scopus 로고    scopus 로고
    • Insurmountable angiotensin II AT1 receptor antagonists: The role of tight antagonist binding
    • Fierens FLP, Vanderheyden PML, De Backer J-P, Vauquelin G, (1999). Insurmountable angiotensin II AT1 receptor antagonists: the role of tight antagonist binding. Eur J Pharmacol 372: 199-206.
    • (1999) Eur J Pharmacol , vol.372 , pp. 199-206
    • Fierens, F.L.P.1    Vanderheyden, P.M.L.2    De Backer, J.-P.3    Vauquelin, G.4
  • 14
    • 0035816704 scopus 로고    scopus 로고
    • Functionally different agonists induce distinct conformations in the G protein coupling domain of the beta 2 adrenergic receptor
    • Ghanouni P, Gryczynski Z, Steenhuis JJ, Lee TW, Farrens DL, Lakowicz JR, et al. (2001). Functionally different agonists induce distinct conformations in the G protein coupling domain of the beta 2 adrenergic receptor. J Biol Chem 276: 24433-24436.
    • (2001) J Biol Chem , vol.276 , pp. 24433-24436
    • Ghanouni, P.1    Gryczynski, Z.2    Steenhuis, J.J.3    Lee, T.W.4    Farrens, D.L.5    Lakowicz, J.R.6
  • 15
    • 24044523202 scopus 로고    scopus 로고
    • The kinetic basis for dual recognition in colicin endonuclease-immunity protein complexes
    • Keeble AH, Kleanthous C, (2005). The kinetic basis for dual recognition in colicin endonuclease-immunity protein complexes. J Mol Biol 352: 656-671.
    • (2005) J Mol Biol , vol.352 , pp. 656-671
    • Keeble, A.H.1    Kleanthous, C.2
  • 16
    • 33751183557 scopus 로고    scopus 로고
    • Determining the potency and molecular mechanism of action of insurmountable antagonists
    • Kenakin T, Jenkinson S, Watson C, (2006). Determining the potency and molecular mechanism of action of insurmountable antagonists. J Pharmacol Exp Ther 319: 710-723.
    • (2006) J Pharmacol Exp Ther , vol.319 , pp. 710-723
    • Kenakin, T.1    Jenkinson, S.2    Watson, C.3
  • 17
    • 38749131545 scopus 로고    scopus 로고
    • New G-protein-coupled receptor crystal structures: Insights and limitations
    • Kobilka B, Schertler GF, (2008). New G-protein-coupled receptor crystal structures: insights and limitations. Trends Pharmacol Sci 29: 79-83.
    • (2008) Trends Pharmacol Sci , vol.29 , pp. 79-83
    • Kobilka, B.1    Schertler, G.F.2
  • 18
    • 34447633368 scopus 로고    scopus 로고
    • Conformational complexity of G-protein-coupled receptors
    • Kobilka BK, Deupi X, (2007). Conformational complexity of G-protein-coupled receptors. Trends Pharmacol Sci 28: 397-406.
    • (2007) Trends Pharmacol Sci , vol.28 , pp. 397-406
    • Kobilka, B.K.1    Deupi, X.2
  • 19
    • 40849098660 scopus 로고    scopus 로고
    • Molecular interactions of CCR5 with major classes of small-molecule CCR5 antagonists
    • Kondru R, Zhang J, Ji C, Mirzadegan T, Rotstein D, Sankuratri S, et al. (2008). Molecular interactions of CCR5 with major classes of small-molecule CCR5 antagonists. Mol Pharmacol 73: 789-800.
    • (2008) Mol Pharmacol , vol.73 , pp. 789-800
    • Kondru, R.1    Zhang, J.2    Ji, C.3    Mirzadegan, T.4    Rotstein, D.5    Sankuratri, S.6
  • 20
    • 15844388931 scopus 로고    scopus 로고
    • Homozygous defect in HIV-1 coreceptor accounts for resistance of some multiply-exposed individuals to HIV-1 infection
    • Liu R, Paxton WA, Choe S, Ceradini D, Martin SR, Horuk R, et al. (1996). Homozygous defect in HIV-1 coreceptor accounts for resistance of some multiply-exposed individuals to HIV-1 infection. Cell 86: 367-377.
    • (1996) Cell , vol.86 , pp. 367-377
    • Liu, R.1    Paxton, W.A.2    Choe, S.3    Ceradini, D.4    Martin, S.R.5    Horuk, R.6
  • 21
    • 77955329488 scopus 로고    scopus 로고
    • Drug-target residence time: Critical information for lead optimization
    • Lu H, Tonge PJ, (2010). Drug-target residence time: critical information for lead optimization. Curr Opin Chem Biol 14: 467-474.
    • (2010) Curr Opin Chem Biol , vol.14 , pp. 467-474
    • Lu, H.1    Tonge, P.J.2
  • 22
    • 33744954776 scopus 로고    scopus 로고
    • Structural and molecular interactions of CCR5 inhibitors with CCR5
    • Maeda K, Das D, Ogata-Aoki H, Nakata H, Miyakawa T, Tojo Y, et al. (2006). Structural and molecular interactions of CCR5 inhibitors with CCR5. J Biol Chem 281: 12688-12698.
    • (2006) J Biol Chem , vol.281 , pp. 12688-12698
    • Maeda, K.1    Das, D.2    Ogata-Aoki, H.3    Nakata, H.4    Miyakawa, T.5    Tojo, Y.6
  • 23
    • 0023728105 scopus 로고
    • The behavior and significance of slow-binding enzyme inhibitors
    • Morrison JF, Walsh CT, (1988). The behavior and significance of slow-binding enzyme inhibitors. Adv Enzymol Relat Areas Mol Biol 61: 201-301.
    • (1988) Adv Enzymol Relat Areas Mol Biol , vol.61 , pp. 201-301
    • Morrison, J.F.1    Walsh, C.T.2
  • 24
    • 28244469774 scopus 로고    scopus 로고
    • Molecular cloning and radioligand binding characterization of the chemokine receptor CCR5 from rhesus macaque and human
    • Napier C, Sale H, Mosley M, Rickett G, Dorr P, Mansfield R, et al. (2005). Molecular cloning and radioligand binding characterization of the chemokine receptor CCR5 from rhesus macaque and human. Biochem Pharmacol 71: 163-172.
    • (2005) Biochem Pharmacol , vol.71 , pp. 163-172
    • Napier, C.1    Sale, H.2    Mosley, M.3    Rickett, G.4    Dorr, P.5    Mansfield, R.6
  • 26
    • 36448978229 scopus 로고    scopus 로고
    • GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function
    • Rosenbaum DM, Cherezov V, Hanson MA, Rasmussen SG, Thian FS, Kobilka TS, et al. (2007). GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function. Science 318: 1266-1273.
    • (2007) Science , vol.318 , pp. 1266-1273
    • Rosenbaum, D.M.1    Cherezov, V.2    Hanson, M.A.3    Rasmussen, S.G.4    Thian, F.S.5    Kobilka, T.S.6
  • 28
    • 0016749447 scopus 로고
    • Determination of dissociation constants and specific rate constants of enzyme-substrate (or protein-ligand) interactions from rapid reaction kinetic data
    • 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.
    • (1975) J Biol Chem , vol.250 , pp. 4048-4052
    • Strickland, S.1    Palmer, G.2    Massey, V.3
  • 29
    • 20444499405 scopus 로고    scopus 로고
    • Probing the beta2 adrenoceptor binding site with catechol reveals differences in binding and activation by agonists and partial agonists
    • Swaminath G, Deupi X, Lee TW, Zhu W, Thian FS, Kolilka TS, et al. (2004). Probing the beta2 adrenoceptor binding site with catechol reveals differences in binding and activation by agonists and partial agonists. J Biol Chem 280: 22165-22171.
    • (2004) J Biol Chem , vol.280 , pp. 22165-22171
    • Swaminath, G.1    Deupi, X.2    Lee, T.W.3    Zhu, W.4    Thian, F.S.5    Kolilka, T.S.6
  • 30
    • 4544381198 scopus 로고    scopus 로고
    • Biochemical mechanisms of drug action: What does it take for success?
    • Swinney DC, (2004). Biochemical mechanisms of drug action: what does it take for success? Nat Rev Drug Discov 3: 801-808.
    • (2004) Nat Rev Drug Discov , vol.3 , pp. 801-808
    • Swinney, D.C.1
  • 31
    • 33749623857 scopus 로고    scopus 로고
    • Can binding kinetics translate to a clinically differentiated drug? from theory to practice
    • Swinney DC, (2006). Can binding kinetics translate to a clinically differentiated drug? From theory to practice. Lett Drug Des Disc 3: 569-574.
    • (2006) Lett Drug des Disc , vol.3 , pp. 569-574
    • Swinney, D.C.1
  • 32
    • 58449131873 scopus 로고    scopus 로고
    • The role of binding kinetics in therapeutically useful drug action
    • Swinney DC, (2009). The role of binding kinetics in therapeutically useful drug action. Curr Opin Drug Discov Devel 12: 31-39.
    • (2009) Curr Opin Drug Discov Devel , vol.12 , pp. 31-39
    • Swinney, D.C.1
  • 33
    • 2442559346 scopus 로고    scopus 로고
    • Network leaning as a mechanism of insurmountable antagonism of the angiotensin II type 1 receptor by non-peptide antagonists
    • Takezako T, Gogonea C, Saad Y, Noda K, Karnik SS, (2004). Network leaning as a mechanism of insurmountable antagonism of the angiotensin II type 1 receptor by non-peptide antagonists. J Biol Chem 279: 15248-15257.
    • (2004) J Biol Chem , vol.279 , pp. 15248-15257
    • Takezako, T.1    Gogonea, C.2    Saad, Y.3    Noda, K.4    Karnik, S.S.5
  • 34
    • 84884673669 scopus 로고    scopus 로고
    • Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex
    • Tan Q, Zhu Y, Li J, Chen Z, Han GW, Kufareva I, et al. (2013). Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science 341: 1387-1390.
    • (2013) Science , vol.341 , pp. 1387-1390
    • Tan, Q.1    Zhu, Y.2    Li, J.3    Chen, Z.4    Han, G.W.5    Kufareva, I.6
  • 35
    • 0037666888 scopus 로고    scopus 로고
    • Implications of protein flexibility for drug discovery
    • Teague SJ, (2003). Implications of protein flexibility for drug discovery. Nat Rev Drug Discov 2: 527-541.
    • (2003) Nat Rev Drug Discov , vol.2 , pp. 527-541
    • Teague, S.J.1
  • 36
    • 0037404511 scopus 로고    scopus 로고
    • Analysis of the mechanism by which the small-molecule CCR5 antagonists SCH-351125 and SCH-350581 inhibit human immunodeficiency virus type 1 entry
    • Tsamis F, Gavrilov S, Kajumo F, Seibert C, Kuhmann S, Ketas T, et al. (2003). Analysis of the mechanism by which the small-molecule CCR5 antagonists SCH-351125 and SCH-350581 inhibit human immunodeficiency virus type 1 entry. J Virol 77: 5201-5208.
    • (2003) J Virol , vol.77 , pp. 5201-5208
    • Tsamis, F.1    Gavrilov, S.2    Kajumo, F.3    Seibert, C.4    Kuhmann, S.5    Ketas, T.6
  • 38
    • 0035399045 scopus 로고    scopus 로고
    • Insurmountable AT1 receptor antagonism: The need for different antagonist binding states of the receptor
    • Vauquelin G, Fierens F, Verheyen I, Vanderheyden P, (2001a). Insurmountable AT1 receptor antagonism: the need for different antagonist binding states of the receptor. Trends Pharmacol Sci 22: 343-344.
    • (2001) Trends Pharmacol Sci , vol.22 , pp. 343-344
    • Vauquelin, G.1    Fierens, F.2    Verheyen, I.3    Vanderheyden, P.4
  • 39
    • 0035254652 scopus 로고    scopus 로고
    • A two-state receptor model for the interaction between angiotensin II AT1 receptors and their non-peptide antagonists
    • Vauquelin G, Morsing P, Fierens FLP, De Backer JP, Vanderheyden PML, (2001b). A two-state receptor model for the interaction between angiotensin II AT1 receptors and their non-peptide antagonists. Biochem Pharmacol 61: 277-284.
    • (2001) Biochem Pharmacol , vol.61 , pp. 277-284
    • Vauquelin, G.1    Morsing, P.2    Fierens, F.L.P.3    De Backer, J.P.4    Vanderheyden, P.M.L.5
  • 41
    • 33745579670 scopus 로고    scopus 로고
    • Long-lasting AT1 receptor binding and protection by candesartan: Comparison to other biphenyl-tetrazole sartans
    • Vauquelin G, Fierens F, Van Liefde I, (2006). Long-lasting AT1 receptor binding and protection by candesartan: comparison to other biphenyl-tetrazole sartans. J Hypertens 24: S23-S30.
    • (2006) J Hypertens , vol.24
    • Vauquelin, G.1    Fierens, F.2    Van Liefde, I.3
  • 42
    • 84862869593 scopus 로고    scopus 로고
    • Clozapine, atypical antipsychotics and the benefits of fast-off D2 dopamine receptor antagonism
    • Vauquelin G, Bostoen S, Vanderheyden P, Seeman P, (2012). Clozapine, atypical antipsychotics and the benefits of fast-off D2 dopamine receptor antagonism. Naunyn Schmiedebergs Arch Pharmacol 385: 337-372.
    • (2012) Naunyn Schmiedebergs Arch Pharmacol , vol.385 , pp. 337-372
    • Vauquelin, G.1    Bostoen, S.2    Vanderheyden, P.3    Seeman, P.4
  • 43
    • 15744391870 scopus 로고    scopus 로고
    • The CCR5 receptor-based mechanism of action of 873140, a potent allosteric noncompetitive HIV entry inhibitor
    • Watson C, Jenkinson S, Kazmierski W, Kenakin T, (2005). The CCR5 receptor-based mechanism of action of 873140, a potent allosteric noncompetitive HIV entry inhibitor. Mol Pharmacol 67: 1268-1282.
    • (2005) Mol Pharmacol , vol.67 , pp. 1268-1282
    • Watson, C.1    Jenkinson, S.2    Kazmierski, W.3    Kenakin, T.4
  • 44
    • 0025082684 scopus 로고
    • Additivity of mutational effects in proteins
    • Wells JA, (1990). Additivity of mutational effects in proteins. Biochemistry 29: 8509-8517.
    • (1990) Biochemistry , vol.29 , pp. 8509-8517
    • Wells, J.A.1
  • 45
    • 33746382921 scopus 로고    scopus 로고
    • Coupling ligand structure to specific conformational switches in the beta2-adrenoceptor
    • Yao X, Parnot C, Deupi X, Ratnala VR, Swaminath G, Farrens D, et al. (2006). Coupling ligand structure to specific conformational switches in the beta2-adrenoceptor. Nature Chem Biol 2: 417-422.
    • (2006) Nature Chem Biol , vol.2 , pp. 417-422
    • Yao, X.1    Parnot, C.2    Deupi, X.3    Ratnala, V.R.4    Swaminath, G.5    Farrens, D.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.