-
1
-
-
36549011407
-
-
December, accessed Nov 11, 2008
-
UNAIDS. AIDS epidemic update: December 2007. http://www.un-aids.org/en/ KnowledgeCentre/HIVData/EpiUpdate/EpiUpdArchive/2007/default.asp (accessed Nov 11, 2008).
-
(2007)
AIDS epidemic update
-
-
-
2
-
-
18844446685
-
-
De Clercq, E. Emerging anti-HIV drugs. Expert Opin. Emersins Drugs 2005, 10, 241-274.
-
De Clercq, E. Emerging anti-HIV drugs. Expert Opin. Emersins Drugs 2005, 10, 241-274.
-
-
-
-
3
-
-
20344371721
-
Anti-HIV chemotherapy: Current state of the art
-
De Clercq, E. Anti-HIV chemotherapy: current state of the art. Med. Chem. Res. 2004, 13, 439-478.
-
(2004)
Med. Chem. Res
, vol.13
, pp. 439-478
-
-
De Clercq, E.1
-
4
-
-
33747622811
-
Small-molecule HIV-1 gpl20 inhibitors to prevent HIV-1 entry: An emerging opportunity for drug development
-
Kadow, J.; Wang, H. G.; Lin, P. F. Small-molecule HIV-1 gpl20 inhibitors to prevent HIV-1 entry: an emerging opportunity for drug development. Curr. Opin. Invest. Drugs (Thomson Sci.) 2006, 7, 721-726.
-
(2006)
Curr. Opin. Invest. Drugs (Thomson Sci.)
, vol.7
, pp. 721-726
-
-
Kadow, J.1
Wang, H.G.2
Lin, P.F.3
-
5
-
-
0033012398
-
Chemokine receptors as HIV-1 coreceptors: Roles in viral entry, tropism, and disease
-
Berger, E. A.; Murphy, P. M.; Färber, J. M. Chemokine receptors as HIV-1 coreceptors: Roles in viral entry, tropism, and disease. Annu. Rev. Immunol. 1999, 17, 657-700.
-
(1999)
Annu. Rev. Immunol
, vol.17
, pp. 657-700
-
-
Berger, E.A.1
Murphy, P.M.2
Färber, J.M.3
-
6
-
-
0027203897
-
Inhibition of HIV-1 infection by a fusion domain binding peptide from the HIV-1 envelope glycoprotein GP41
-
Jiang, S.; Lin, K.; Strick, N.; Neurath, A. R. Inhibition of HIV-1 infection by a fusion domain binding peptide from the HIV-1 envelope glycoprotein GP41. Biochem. Biophvs. Res. Commun. 1993, 195, 533-538.
-
(1993)
Biochem. Biophvs. Res. Commun
, vol.195
, pp. 533-538
-
-
Jiang, S.1
Lin, K.2
Strick, N.3
Neurath, A.R.4
-
7
-
-
77956849100
-
New antiviral agents in preclinical or clinical development
-
De Clercq, E. New antiviral agents in preclinical or clinical development. Adv. Antiviral Drug Des. 2004, 4, 1-62.
-
(2004)
Adv. Antiviral Drug Des
, vol.4
, pp. 1-62
-
-
De Clercq, E.1
-
8
-
-
0036846898
-
Anti-HIV Agents and Targets
-
De Clercq, E. New Anti-HIV Agents and Targets. Med. Res. Rev. 2002, 22, 531-565.
-
(2002)
Med. Res. Rev
, vol.22
, pp. 531-565
-
-
Clercq, D.1
New, E.2
-
9
-
-
20844460158
-
New Drugs Targets for HIV
-
Bean, P. New Drugs Targets for HIV. Clin. Infect. Dis. 2005, 41, 96-100.
-
(2005)
Clin. Infect. Dis
, vol.41
, pp. 96-100
-
-
Bean, P.1
-
10
-
-
3042794175
-
Recent advances in understanding the molecular mechanisms of HIV-1 entry and fusion: Revisiting current targets and considering new options for therapeutic intervention
-
Markovic, I.; Clouse, K. A. Recent advances in understanding the molecular mechanisms of HIV-1 entry and fusion: revisiting current targets and considering new options for therapeutic intervention. Curr. HIV Res. 2004, 2, 223-34.
-
(2004)
Curr. HIV Res
, vol.2
, pp. 223-234
-
-
Markovic, I.1
Clouse, K.A.2
-
11
-
-
15944399009
-
Recent Progress in the Discovery of New CCR5 and CXCR4 Chemokine Receptor Antagonists as Inhibitors of HIV-1 Entry. Part 2
-
Kazmierski, W. M.; Peckman, J. P.; Duan, M.; Kenakin, T. P.; Jenkinson, S.; Gudmundsson, K. S.; Piscitelli, S. C.; Feldman, P. L. Recent Progress in the Discovery of New CCR5 and CXCR4 Chemokine Receptor Antagonists as Inhibitors of HIV-1 Entry. Part 2. Curr. Med. Chem. - Anti Infect. Asents 2005, 4, 133-152.
-
(2005)
Curr. Med. Chem. - Anti Infect. Asents
, vol.4
, pp. 133-152
-
-
Kazmierski, W.M.1
Peckman, J.P.2
Duan, M.3
Kenakin, T.P.4
Jenkinson, S.5
Gudmundsson, K.S.6
Piscitelli, S.C.7
Feldman, P.L.8
-
12
-
-
54849425551
-
Discovery of novel non-cyclam polynitrogenated CXCR4 coreceptor inhibitors
-
Pettersson, S.; Pérez-Nueno, V. I.; Ros-Blanco, L.; Puig de la Bellacasa, R.; Rabal, O.; Batllori, X.; Clotet, B.; Clotet-Codina, L.; Armand-Ugón, M.; Esté, J.; Borrell, J. L.; Teixidó, J. Discovery of novel non-cyclam polynitrogenated CXCR4 coreceptor inhibitors. ChemMedChem 2008, 3, 1549-1557.
-
(2008)
ChemMedChem
, vol.3
, pp. 1549-1557
-
-
Pettersson, S.1
Pérez-Nueno, V.I.2
Ros-Blanco, L.3
Puig de la Bellacasa, R.4
Rabal, O.5
Batllori, X.6
Clotet, B.7
Clotet-Codina, L.8
Armand-Ugón, M.9
Esté, J.10
Borrell, J.L.11
Teixidó, J.12
-
13
-
-
42149101110
-
-
Maybridge Databases Autumn, Fisher Scientific International: England
-
Maybridge Bringing life to drug discovery; Maybridge Databases Autumn 2005; Fisher Scientific International: England, 2005.
-
(2005)
Maybridge Bringing life to drug discovery
-
-
-
14
-
-
0347719203
-
Analysis of selection methodologies for combinatorial library design
-
Pascual, R.; Borrell, J. I.; Teixido, J. Analysis of selection methodologies for combinatorial library design. Mol. Diversity 2003, 6, 121-133.
-
(2003)
Mol. Diversity
, vol.6
, pp. 121-133
-
-
Pascual, R.1
Borrell, J.I.2
Teixido, J.3
-
16
-
-
66149131136
-
-
Discovery Studio, version 2.0; Accelrys Software Inc, San Diego, 2007
-
Discovery Studio, version 2.0; Accelrys Software Inc.: San Diego, 2007.
-
-
-
-
17
-
-
23844489887
-
An analytical, variable resolution, complete description of static molecules and their intermolecular binding properties
-
Lin, J.; Clark, T. An analytical, variable resolution, complete description of static molecules and their intermolecular binding properties. J. Chem. Inf. Model. 2005, 45, 1010-1016.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1010-1016
-
-
Lin, J.1
Clark, T.2
-
18
-
-
0001109246
-
A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
-
Grant, A. J.; Pickup, B. T. A fast method of molecular shape comparison: a simple application of a Gaussian description of molecular shape. J. Comput. Chem. 1996, 17, 1653-1659.
-
(1996)
J. Comput. Chem
, vol.17
, pp. 1653-1659
-
-
Grant, A.J.1
Pickup, B.T.2
-
19
-
-
0000720929
-
Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces
-
Ritchie, D. W.; Kemp, G. J. L. Fast computation, rotation, and comparison of low resolution spherical harmonic molecular surfaces. J. Comput. Chem. 1999, 20, 383-395.
-
(1999)
J. Comput. Chem
, vol.20
, pp. 383-395
-
-
Ritchie, D.W.1
Kemp, G.J.L.2
-
20
-
-
42149089443
-
Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape-matching and Ligand-Receptor Docking
-
Pérez-Nueno, V. I.; Ritchie, D. W.; Rabal, O.; Pascual, R.; Borrell, J. L.; Teixidó, J. Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape-matching and Ligand-Receptor Docking. J. Chem. Inf. Model. 2008, 48, 509-533.
-
(2008)
J. Chem. Inf. Model
, vol.48
, pp. 509-533
-
-
Pérez-Nueno, V.I.1
Ritchie, D.W.2
Rabal, O.3
Pascual, R.4
Borrell, J.L.5
Teixidó, J.6
-
21
-
-
0034604451
-
Crystal structure of rhodopsin: A G-protein-coupled receptor
-
Palczewski, K.; Kumasaka, T.; Hori, T.; Behnke, C. A.; Motoshima, H.; Fox, B. A.; Le Trong, I.; Teller, D. C.; Okada, T.; Stenkamp, R. E.; Yamamoto, M.; Miyano, M. Crystal structure of rhodopsin: A G-protein-coupled receptor. Science 2000, 289, 739-745.
-
(2000)
Science
, vol.289
, pp. 739-745
-
-
Palczewski, K.1
Kumasaka, T.2
Hori, T.3
Behnke, C.A.4
Motoshima, H.5
Fox, B.A.6
Le Trong, I.7
Teller, D.C.8
Okada, T.9
Stenkamp, R.E.10
Yamamoto, M.11
Miyano, M.12
-
22
-
-
11644261806
-
Automated Docking Using a Lamarckian Genetic Algorithm and Empirical Binding Free Energy Function
-
Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Hart, W.; Belew, R. K.; Olson, A. J. Automated Docking Using a Lamarckian Genetic Algorithm and Empirical Binding Free Energy Function. J. Comput. Chem. 1998, 19, 1639-1662.
-
(1998)
J. Comput. Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Hart, W.4
Belew, R.K.5
Olson, A.J.6
-
23
-
-
0041919542
-
Improved Protein-Ligand Docking Using GOLD
-
Verdonk, M. L.; Cole, J. C.; Hartshorn, M. J.; Murray, C. W.; Taylor, R. D. Improved Protein-Ligand Docking Using GOLD. Proteins: Struct. Funct. Genet. 2003, 52, 609-623.
-
(2003)
Proteins: Struct. Funct. Genet
, vol.52
, pp. 609-623
-
-
Verdonk, M.L.1
Cole, J.C.2
Hartshorn, M.J.3
Murray, C.W.4
Taylor, R.D.5
-
24
-
-
0346665839
-
Gaussian docking functions
-
McGann, M. R.; Almond, H. R.; Nicholls, A.; Grant, J. A.; Brown, F. K. Gaussian docking functions. Biopolymers 2003, 68, 76-90.
-
(2003)
Biopolymers
, vol.68
, pp. 76-90
-
-
McGann, M.R.1
Almond, H.R.2
Nicholls, A.3
Grant, J.A.4
Brown, F.K.5
-
25
-
-
0034193510
-
Protein docking using spherical polar Fourier correlations
-
Ritchie, D. W.; Kemp, G. J. L. Protein docking using spherical polar Fourier correlations. Proteins;Struct Funct Genet 2000, 39, 178-194.
-
(2000)
Proteins;Struct Funct Genet
, vol.39
, pp. 178-194
-
-
Ritchie, D.W.1
Kemp, G.J.L.2
-
26
-
-
23044456806
-
AMD3465, a monomacrocyclic CXCR4 antagonist and potent HIV entry inhibitor
-
Hatse, S.; Princen, K.; De Clercq, E.; Rosenkilde, M. M.; Schwartzb, T. W.; Hernandez-Abad, P. E.; Skerlj, R. T.; Bridger, G. J.; Schols, D. AMD3465, a monomacrocyclic CXCR4 antagonist and potent HIV entry inhibitor. Biochem. Pharmacol. 2005, 70, 752-761.
-
(2005)
Biochem. Pharmacol
, vol.70
, pp. 752-761
-
-
Hatse, S.1
Princen, K.2
De Clercq, E.3
Rosenkilde, M.M.4
Schwartzb, T.W.5
Hernandez-Abad, P.E.6
Skerlj, R.T.7
Bridger, G.J.8
Schols, D.9
-
27
-
-
8644270505
-
Inhibition of Human Immunodeficiency Virus Replication by a Dual CCR5/CXCR4 Antagonist
-
Princen, K.; Hatse, S.; Vermeire, K.; Aquaro, S.; De Clercq, E.; Gerlach, L.-O.; Rosenkilde, M.; Schwartz, T. W.; Skerlj, R.; Bridger, G.; Schols, D. Inhibition of Human Immunodeficiency Virus Replication by a Dual CCR5/CXCR4 Antagonist. J. Virol. 2004, 78, 12996-13006.
-
(2004)
J. Virol
, vol.78
, pp. 12996-13006
-
-
Princen, K.1
Hatse, S.2
Vermeire, K.3
Aquaro, S.4
De Clercq, E.5
Gerlach, L.-O.6
Rosenkilde, M.7
Schwartz, T.W.8
Skerlj, R.9
Bridger, G.10
Schols, D.11
-
28
-
-
34848834558
-
Molecular mechanism of action of monocyclam versus bicyclam non-peptide antagonist in the CXCR4 chemokine receptor
-
Rosenkilde, M. M.; Gerlach, L.-O.; Hatse, S.; Skerlj, R. L.; Schols, D.; Bridger, G.; Schwartz, T. W. Molecular mechanism of action of monocyclam versus bicyclam non-peptide antagonist in the CXCR4 chemokine receptor. J. Biol. Chem. 2007, 282, 27354-27365.
-
(2007)
J. Biol. Chem
, vol.282
, pp. 27354-27365
-
-
Rosenkilde, M.M.1
Gerlach, L.-O.2
Hatse, S.3
Skerlj, R.L.4
Schols, D.5
Bridger, G.6
Schwartz, T.W.7
-
29
-
-
42149192535
-
Nuevos sistemas polinitrogenados como agentes anti-VIH
-
ES Patent ES200602764, filing date: October 26, 2006
-
Teixidó, J.; Borrell, J. I.; Nonell, S.; Pettersson, S.; Ros, L.; Puig de la Bellacasa, R.; Rabal, M. O.; Pérez-Nueno, V. L.; Esté, J.; Clotet-Codina, L.; Armand-Ugón, M. Nuevos sistemas polinitrogenados como agentes anti-VIH. ES Patent ES200602764, 2006 (filing date: October 26, 2006).
-
(2006)
-
-
Teixidó, J.1
Borrell, J.I.2
Nonell, S.3
Pettersson, S.4
Ros, L.5
Puig de la Bellacasa, R.6
Rabal, M.O.7
Pérez-Nueno, V.L.8
Esté, J.9
Clotet-Codina, L.10
Armand-Ugón, M.11
-
30
-
-
66149108475
-
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 0022600, 2002.
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 0022600, 2002.
-
-
-
-
31
-
-
66149097843
-
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 0022599, 2002.
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 0022599, 2002.
-
-
-
-
32
-
-
66149131930
-
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 00234745, 2002.
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 00234745, 2002.
-
-
-
-
33
-
-
66149128527
-
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 055876, 2003.
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y. World Patent WO 055876, 2003.
-
-
-
-
34
-
-
66149145938
-
-
U.S. Patent 0019058
-
Bridger, G.; Skerlj, R.; Kaller, A.; Harwing, C.; Bogucki, D.; Wilson, T. R.; Crawford, J.; McEachern, E. J.; Atsma, B.; Nan, S.; Zhou, Y.; Smith, C. D.; Di Fluir, R. M. U.S. Patent 0019058, 2004.
-
(2004)
-
-
Bridger, G.1
Skerlj, R.2
Kaller, A.3
Harwing, C.4
Bogucki, D.5
Wilson, T.R.6
Crawford, J.7
McEachern, E.J.8
Atsma, B.9
Nan, S.10
Zhou, Y.11
Smith, C.D.12
Di Fluir, R.M.13
-
35
-
-
0037388121
-
-
Ichiyama, K.; Yokohama-Kumakura, S.; Tanaka, Y.; Tanaka, R.; Hirose, K.; Bannai, K.; Edamatsu, T.; Yanaka, M.; Niitani, Y.; Miyako-Kurosaki, N.; Takaku, H.; Koyanagi, Y.; Yamamoto, N. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 4185-4190.
-
(2003)
Proc. Natl. Acad. Sci. U.S.A
, vol.100
, pp. 4185-4190
-
-
Ichiyama, K.1
Yokohama-Kumakura, S.2
Tanaka, Y.3
Tanaka, R.4
Hirose, K.5
Bannai, K.6
Edamatsu, T.7
Yanaka, M.8
Niitani, Y.9
Miyako-Kurosaki, N.10
Takaku, H.11
Koyanagi, Y.12
Yamamoto, N.13
-
36
-
-
66149132330
-
-
Murakami, T.; Yoshida, A.; Tanaka, R.; Mitsuhashi, S.; Hirose, K.; Yanaka, M.; Yamamato, N.; Tanaka, Y. KRH-2731: An Orally Bioavailable CXCR4 Antagonist Is a Potent Inhibitor of HIV-1 Infection. In 2004 Antivirals Pipeline Report; Camp, R., Ed.; Proceed-ings of the 11th Conference on Retroviruses and Opportunistic Infections, San Francisco, CA, Feb 8-11, 2004; Treatment Action Group: San Francisco, CA, 2004; Abstract No. 541.
-
Murakami, T.; Yoshida, A.; Tanaka, R.; Mitsuhashi, S.; Hirose, K.; Yanaka, M.; Yamamato, N.; Tanaka, Y. KRH-2731: An Orally Bioavailable CXCR4 Antagonist Is a Potent Inhibitor of HIV-1 Infection. In 2004 Antivirals Pipeline Report; Camp, R., Ed.; Proceed-ings of the 11th Conference on Retroviruses and Opportunistic Infections, San Francisco, CA, Feb 8-11, 2004; Treatment Action Group: San Francisco, CA, 2004; Abstract No. 541.
-
-
-
-
37
-
-
66149109256
-
-
Yamazaki, T.; Saitou, A.; Ono, M.; Yokohama, S.; Bannai, K.; Hiroswe, K.; Yanaka, M. World Patent WO 029218, 2003.
-
Yamazaki, T.; Saitou, A.; Ono, M.; Yokohama, S.; Bannai, K.; Hiroswe, K.; Yanaka, M. World Patent WO 029218, 2003.
-
-
-
-
38
-
-
66149149117
-
-
Yamazaki, T.; Kikumoto, S.; Ono, M.; Saitou, A.; Takahashi, H.; Kumakura, S.; Hirose, K. World Patent WO 024697, 2004.
-
Yamazaki, T.; Kikumoto, S.; Ono, M.; Saitou, A.; Takahashi, H.; Kumakura, S.; Hirose, K. World Patent WO 024697, 2004.
-
-
-
-
39
-
-
0033598379
-
Synthesis and Structure-Activity Relationships of Phenylenebis(m-ethylene)-Linked Bis-azamacrocycles That Inhibit HIV-1 and HIV-2 Replication by Antagonism of the Chemokine Receptor CXCR4
-
Bridger, G. J.; Skerlj, R. T.; Padmanabhan, S.; Martellucci, S. A.; Henson, G. H.; Struyf, S.; Witvrouw, M.; Schols, D.; De Clercq, E. Synthesis and Structure-Activity Relationships of Phenylenebis(m-ethylene)-Linked Bis-azamacrocycles That Inhibit HIV-1 and HIV-2 Replication by Antagonism of the Chemokine Receptor CXCR4. J. Med. Chem. 1999, 42, 3971-3981.
-
(1999)
J. Med. Chem
, vol.42
, pp. 3971-3981
-
-
Bridger, G.J.1
Skerlj, R.T.2
Padmanabhan, S.3
Martellucci, S.A.4
Henson, G.H.5
Struyf, S.6
Witvrouw, M.7
Schols, D.8
De Clercq, E.9
-
40
-
-
0034062515
-
Inhibition of HIV Infection by Bicyclams, Highly Potent and Specific CXCR4 Antagonists
-
De Clercq, E. Inhibition of HIV Infection by Bicyclams, Highly Potent and Specific CXCR4 Antagonists. Mol. Pharmacol. 2000, 57, 833-839.
-
(2000)
Mol. Pharmacol
, vol.57
, pp. 833-839
-
-
De Clercq, E.1
-
41
-
-
0032895276
-
Activity of Different Bicyclam Derivatives against Human Immunodeficiency Virus Depends on Their Interaction with the CXCR4 Chemokine Receptor
-
Esté, J. A.; Cabrera, C.; De Clercq, E.; Struyf, S.; Damme, J. V.; Bridger, G.; Skerlj, R. T.; Abrams, M. J.; Henson, G.; Gutierrez, A.; Clotet, B.; Schols, D. Activity of Different Bicyclam Derivatives against Human Immunodeficiency Virus Depends on Their Interaction with the CXCR4 Chemokine Receptor. Mol. Pharmacol. 1999, 55, 67-73.
-
(1999)
Mol. Pharmacol
, vol.55
, pp. 67-73
-
-
Esté, J.A.1
Cabrera, C.2
De Clercq, E.3
Struyf, S.4
Damme, J.V.5
Bridger, G.6
Skerlj, R.T.7
Abrams, M.J.8
Henson, G.9
Gutierrez, A.10
Clotet, B.11
Schols, D.12
-
42
-
-
0032775435
-
Selective Antagonists of the Human Chemokine Receptor CXCR4, Potently Inhibit Feline Immunodeficiency Virus Replication
-
Egberink, H. F.; De Clercq, E.; Van Vliet, A. L. W.; Balzarini, J.; Bridger, G. J.; Henson, G.; Horzinek, M. C.; Schols, D. Bicyclams, Selective Antagonists of the Human Chemokine Receptor CXCR4, Potently Inhibit Feline Immunodeficiency Virus Replication. J. Virol. 1999, 73, 6346-6352.
-
(1999)
J. Virol
, vol.73
, pp. 6346-6352
-
-
Egberink, H.F.1
De Clercq, E.2
Van Vliet, A.L.W.3
Balzarini, J.4
Bridger, G.J.5
Henson, G.6
Horzinek, M.C.7
Schols8
Bicyclams, D.9
-
43
-
-
20944452022
-
Identification of novel low molecular weight CXCR4 antagonists by structural tuning of cyclic tetrapeptide scaffolds
-
Tamamura, H.; Araki, T.; Ueda, S.; Wang, Z.; Oishi, S.; Esaka, A.; Trent, J. O.; Nakashima, H.; Yamamoto, N.; Peiper, S. C.; Otaka, A.; Fujii, N. Identification of novel low molecular weight CXCR4 antagonists by structural tuning of cyclic tetrapeptide scaffolds. J. Med. Chem. 2005, 48, 3280-3289.
-
(2005)
J. Med. Chem
, vol.48
, pp. 3280-3289
-
-
Tamamura, H.1
Araki, T.2
Ueda, S.3
Wang, Z.4
Oishi, S.5
Esaka, A.6
Trent, J.O.7
Nakashima, H.8
Yamamoto, N.9
Peiper, S.C.10
Otaka, A.11
Fujii, N.12
-
44
-
-
0035957911
-
Molecular Interaction of Cyclam and Bicyclam Non-peptide Antagonists with the CXCR4 Chemokine Receptor
-
Gerlach, L.-O.; Skerlj, R. T.; Bridger, G. J.; Schwartz, T. W. Molecular Interaction of Cyclam and Bicyclam Non-peptide Antagonists with the CXCR4 Chemokine Receptor. J. Biol. Chem. 2001, 276, 14154-14160.
-
(2001)
J. Biol. Chem
, vol.276
, pp. 14154-14160
-
-
Gerlach, L.-O.1
Skerlj, R.T.2
Bridger, G.J.3
Schwartz, T.W.4
-
45
-
-
33744830581
-
Identification of a new class of low molecular weight antagonists against the chemokine receptor CXCR4 having the dipicolylamine-zinc(II) complex structure
-
Tamamura, H.; Ojida, A.; Ogawa, T.; Tsutsumi, H.; Masuno, H.; Nakashima, H.; Yamamoto, N.; Hamachi, I.; Fujii, N. Identification of a new class of low molecular weight antagonists against the chemokine receptor CXCR4 having the dipicolylamine-zinc(II) complex structure. J. Med. Chem. 2006, 49, 3412-3415.
-
(2006)
J. Med. Chem
, vol.49
, pp. 3412-3415
-
-
Tamamura, H.1
Ojida, A.2
Ogawa, T.3
Tsutsumi, H.4
Masuno, H.5
Nakashima, H.6
Yamamoto, N.7
Hamachi, I.8
Fujii, N.9
-
46
-
-
42149189418
-
-
Chemical Computing Group, Inc, Montreal, Canada, Available on the Internet at, accessed June 2, 2008
-
Labute, P. Flexible Alignment of Small Molecules. Chemical Computing Group, Inc.: Montreal, Canada, 2004. (Available on the Internet at http:/www.chemcomp.com/journal/malign.htm (accessed June 2, 2008)).
-
(2004)
Flexible Alignment of Small Molecules
-
-
Labute, P.1
-
47
-
-
33646478469
-
QSAR studies on benzopyran potassium channel activators
-
Agrawal, V. K.; Singh, J.; Gupta, M.; Jaliwala, Y. A.; Khadikar, P. V.; Supuran, C. T. QSAR studies on benzopyran potassium channel activators. Eur. J. Med. Chem. 2006, 41, 360-366.
-
(2006)
Eur. J. Med. Chem
, vol.41
, pp. 360-366
-
-
Agrawal, V.K.1
Singh, J.2
Gupta, M.3
Jaliwala, Y.A.4
Khadikar, P.V.5
Supuran, C.T.6
-
48
-
-
0042355453
-
Rational selection of training and test sets for the development of validated QSAR models
-
Golbraikh, A.; Shen, M.; Xiao, Z.; Xiao, Y.-D.; Lee, K.-H.; Tropsha, A. Rational selection of training and test sets for the development of validated QSAR models. J. Comput. -Aided Mol. Des. 2003, 17, 241-253.
-
(2003)
J. Comput. -Aided Mol. Des
, vol.17
, pp. 241-253
-
-
Golbraikh, A.1
Shen, M.2
Xiao, Z.3
Xiao, Y.-D.4
Lee, K.-H.5
Tropsha, A.6
-
50
-
-
66149088542
-
-
OMEGA, version 2.1.0; OpenEye Scientific Software Inc, Santa Fe, NM, 2006
-
OMEGA, version 2.1.0; OpenEye Scientific Software Inc.: Santa Fe, NM., 2006.
-
-
-
-
51
-
-
57549116672
-
Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape based virtual screening approach: Further evidence for multiple binding sites within the CCR5 extracellular pocket
-
Pérez-Nueno, V. I.; Ritchie, D. W.; Borrell, J. L.; Teixidó, J. Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape based virtual screening approach: Further evidence for multiple binding sites within the CCR5 extracellular pocket. J. Chem. Inf. Model. 2008, 48, 2146-2165.
-
(2008)
J. Chem. Inf. Model
, vol.48
, pp. 2146-2165
-
-
Pérez-Nueno, V.I.1
Ritchie, D.W.2
Borrell, J.L.3
Teixidó, J.4
-
52
-
-
0037832482
-
Mutations at the CXCR4 interaction sites for AMD3100 influence anti-CXCR4 antibody binding and HIV-1 entry
-
Hatse, S.; Princes, K.; Vermeire, K.; Gerlach, L.-O.; Rosenkilde, M. M.; Schwartz, T. W.; Bridger, G.; De Clercq, E.; Schols, D. Mutations at the CXCR4 interaction sites for AMD3100 influence anti-CXCR4 antibody binding and HIV-1 entry. FEBS Lett. 2003, 546, 300-306.
-
(2003)
FEBS Lett
, vol.546
, pp. 300-306
-
-
Hatse, S.1
Princes, K.2
Vermeire, K.3
Gerlach, L.-O.4
Rosenkilde, M.M.5
Schwartz, T.W.6
Bridger, G.7
De Clercq, E.8
Schols, D.9
-
53
-
-
0034604709
-
Identification of Residues of CXCR4 Critical for Human Immunodeficiency Virus Coreceptor and Chemokine Receptor Activities
-
Brelot, A.; Heveker, N.; Montes, M.; Alizon, M. Identification of Residues of CXCR4 Critical for Human Immunodeficiency Virus Coreceptor and Chemokine Receptor Activities. J. Biol. Chem. 2000, 275, 23736-23744.
-
(2000)
J. Biol. Chem
, vol.275
, pp. 23736-23744
-
-
Brelot, A.1
Heveker, N.2
Montes, M.3
Alizon, M.4
-
54
-
-
0034954455
-
Mutation of Aspl71 and Asp262 of the chemokine receptor CXCR4 impairs its coreceptor function for human immunodeficiency virus-1 entry and abrogates the antagonistic activity of AMD3100
-
Hatse, S.; Princen, K.; Gerlach, L.-O.; Bridger, G.; Henson, G.; Clercq, E.; Schwartz, T. W.; Schols, D. Mutation of Aspl71 and Asp262 of the chemokine receptor CXCR4 impairs its coreceptor function for human immunodeficiency virus-1 entry and abrogates the antagonistic activity of AMD3100. Mol. Pharmacol. 2001, 60, 164-173.
-
(2001)
Mol. Pharmacol
, vol.60
, pp. 164-173
-
-
Hatse, S.1
Princen, K.2
Gerlach, L.-O.3
Bridger, G.4
Henson, G.5
Clercq, E.6
Schwartz, T.W.7
Schols, D.8
-
55
-
-
0035438402
-
How does consensus scoring work for virtual library screening? An idealized computer experiment
-
Wang, R.; Wang, S. How does consensus scoring work for virtual library screening? An idealized computer experiment. J. Chem. Inf. Comput. Sci. 2001, 41, 1422-1426.
-
(2001)
J. Chem. Inf. Comput. Sci
, vol.41
, pp. 1422-1426
-
-
Wang, R.1
Wang, S.2
-
56
-
-
0002763063
-
Metric for analyzing hit lists and pharmacophores
-
Chapter 11, Güner, O. F, Ed, International University Line: La Jolla, CA
-
Güner, O. F.; Henry, D. R. Metric for analyzing hit lists and pharmacophores. Chapter 11. In Pharmacophore, perception, development and use in drug design; Güner, O. F., Ed.; International University Line: La Jolla, CA, 2000; pp 195-212.
-
(2000)
Pharmacophore, perception, development and use in drug design
, pp. 195-212
-
-
Güner, O.F.1
Henry, D.R.2
-
57
-
-
66149117092
-
-
Gürner, O. F.; Hoffman, R.; Li, H. Techniques and strategies in 3D data mining. In Report by Wendy A. Warr; 217th ASC National Metting and Exposition, Anaheim, California, March 12-25, 1999; Wendy Warr & Associates: London, 1999; pp 50-53.
-
Gürner, O. F.; Hoffman, R.; Li, H. Techniques and strategies in 3D data mining. In Report by Wendy A. Warr; 217th ASC National Metting and Exposition, Anaheim, California, March 12-25, 1999; Wendy Warr & Associates: London, 1999; pp 50-53.
-
-
-
-
58
-
-
33845956363
-
Configurations of nickel-cyclam antiviral complexes and protein recognition
-
Hunter, T. M.; McNae, I. W.; Simpson, D. P.; Smith, A. M.; Moggach, S.; White, F.; Walkinshaw, M. D.; Parsons, S.; Sadler, P. J. Configurations of nickel-cyclam antiviral complexes and protein recognition. Chem.-Eur. J. 2007, 13, 40-50.
-
(2007)
Chem.-Eur. J
, vol.13
, pp. 40-50
-
-
Hunter, T.M.1
McNae, I.W.2
Simpson, D.P.3
Smith, A.M.4
Moggach, S.5
White, F.6
Walkinshaw, M.D.7
Parsons, S.8
Sadler, P.J.9
-
59
-
-
0037036777
-
Structure and dynamics of metailomacrocycles: Recognition of zinc xylyxl-bicyclam by an HIV coreceptor
-
Liang, X.; Parkinson, J. A.; Wishäupl, M.; Gould, R. O.; Paisey, S. J.; Park, H.; Hunter, T. M.; Blindauer, C. A.; Parsons, S.; Sadler, P. J. Structure and dynamics of metailomacrocycles: recognition of zinc xylyxl-bicyclam by an HIV coreceptor. J. Am. Chem. Soc. 2002, 124, 9105-9112.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 9105-9112
-
-
Liang, X.1
Parkinson, J.A.2
Wishäupl, M.3
Gould, R.O.4
Paisey, S.J.5
Park, H.6
Hunter, T.M.7
Blindauer, C.A.8
Parsons, S.9
Sadler, P.J.10
-
60
-
-
14044266994
-
Protein recognition of macrocycles: Binding of anti-HIV metallocyclams to lysozyme
-
Hunter, T. M.; McNae, I. W.; Liang, X.; Bella, J.; Parsons, S.; Walkinshaw, M. D.; Sadler, P. J. Protein recognition of macrocycles: Binding of anti-HIV metallocyclams to lysozyme. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 2288-2292.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 2288-2292
-
-
Hunter, T.M.1
McNae, I.W.2
Liang, X.3
Bella, J.4
Parsons, S.5
Walkinshaw, M.D.6
Sadler, P.J.7
-
61
-
-
1642535388
-
Molecular mechanism of AMD3100 antagonism in the CXCR4 receptor
-
Rosenkilde, M. M.; Gerlach, L.-O.; Jakobsern, J. S.; Skerlj, R. T.; Bridger, G. J.; Schwartz, T. W. Molecular mechanism of AMD3100 antagonism in the CXCR4 receptor. J. Biol. Chem. 2004, 279, 3033-3041.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 3033-3041
-
-
Rosenkilde, M.M.1
Gerlach, L.-O.2
Jakobsern, J.S.3
Skerlj, R.T.4
Bridger, G.J.5
Schwartz, T.W.6
-
62
-
-
33750132891
-
Configurationally restricted bismacrocyclic CXCR4 receptor antagonists
-
Valks, G. C.; McRobbie, G.; Lewis, E. A.; Hubin, T. J.; Hunter, T. M.; Sadler, P. J.; Pannecouque, C.; De Clercq, E.; Archibald, S. J. Configurationally restricted bismacrocyclic CXCR4 receptor antagonists. J. Med. Chem. 2006, 49, 6162-6165.
-
(2006)
J. Med. Chem
, vol.49
, pp. 6162-6165
-
-
Valks, G.C.1
McRobbie, G.2
Lewis, E.A.3
Hubin, T.J.4
Hunter, T.M.5
Sadler, P.J.6
Pannecouque, C.7
De Clercq, E.8
Archibald, S.J.9
|