-
1
-
-
0035159445
-
Recent advances on the role of topological indices in drug discovery research
-
Estrada E., and Uriarte E. Recent advances on the role of topological indices in drug discovery research. Curr. Med. Chem. 8 (2001) 1573-1588
-
(2001)
Curr. Med. Chem.
, vol.8
, pp. 1573-1588
-
-
Estrada, E.1
Uriarte, E.2
-
2
-
-
8544258061
-
Topological descriptors in drug design and modeling studies
-
Roy K. Topological descriptors in drug design and modeling studies. Mol. Diver. 8 (2004) 321-323
-
(2004)
Mol. Diver.
, vol.8
, pp. 321-323
-
-
Roy, K.1
-
3
-
-
0023202542
-
Use of molecular complexity indices in predictive pharmacology and toxicology: a QSAR approach
-
Basak S.C. Use of molecular complexity indices in predictive pharmacology and toxicology: a QSAR approach. Med. Sci. Res. 15 (1987) 605-609
-
(1987)
Med. Sci. Res.
, vol.15
, pp. 605-609
-
-
Basak, S.C.1
-
4
-
-
0001362051
-
Extended Wiener indices. A new set of descriptors for quantitative structure-property studies
-
Estrada E., Ivanciuc O., Gutman I., Gutierrez A., and Rodriguez L. Extended Wiener indices. A new set of descriptors for quantitative structure-property studies. New J. Chem. 22 (1998) 819-822
-
(1998)
New J. Chem.
, vol.22
, pp. 819-822
-
-
Estrada, E.1
Ivanciuc, O.2
Gutman, I.3
Gutierrez, A.4
Rodriguez, L.5
-
5
-
-
34250826610
-
Four new topological indices based on the molecular path code
-
Balaban A.T., Beteringhe A., Constantinescu T., Filip P.A., and Ivanciuc O. Four new topological indices based on the molecular path code. J. Chem. Inf. Model. 47 (2007) 716-731
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 716-731
-
-
Balaban, A.T.1
Beteringhe, A.2
Constantinescu, T.3
Filip, P.A.4
Ivanciuc, O.5
-
6
-
-
0041559788
-
From molecular graphs to drugs. A review on the use of topological indices in drug design and discovery
-
Estrada E., Patlewicz G., and Uriarte E. From molecular graphs to drugs. A review on the use of topological indices in drug design and discovery. Indian J. Chem. 42A (2003) 1315-1329
-
(2003)
Indian J. Chem.
, vol.42 A
, pp. 1315-1329
-
-
Estrada, E.1
Patlewicz, G.2
Uriarte, E.3
-
7
-
-
0000113278
-
Use of topostructural, topochemical, and geometric parameters in the prediction of vapor pressure: a hierarchical QSAR approach
-
Basak S.C., Gute B.D., and Grunwald G.D. Use of topostructural, topochemical, and geometric parameters in the prediction of vapor pressure: a hierarchical QSAR approach. J. Chem. Inf. Comput. Sci. 37 (1997) 651-655
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 651-655
-
-
Basak, S.C.1
Gute, B.D.2
Grunwald, G.D.3
-
8
-
-
10644257975
-
The HIV-1 nucleocapsid zinc finger protein as a target of antiretroviral therapy
-
Musah R.A. The HIV-1 nucleocapsid zinc finger protein as a target of antiretroviral therapy. Curr. Med. Chem. 4 (2004) 1605-1622
-
(2004)
Curr. Med. Chem.
, vol.4
, pp. 1605-1622
-
-
Musah, R.A.1
-
9
-
-
0022552064
-
Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS)
-
De Clercq E. Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS). J. Med. Chem. 29 (1986) 1561-1569
-
(1986)
J. Med. Chem.
, vol.29
, pp. 1561-1569
-
-
De Clercq, E.1
-
10
-
-
0001707601
-
3′-Azido-3′-deoxythymidine (BW A509U): an antiviral agent that inhibits the infectivity and cytopathic effect of human T-lymphotropic virus type III/lymphadenopathy-associated virus in vitro
-
Mitsuya H., Weinhold K.J., Furman P.A., St Clair M.H., Lehrman S.N., Gallo R.C., Bolognesi D., Barry D.W., and Broder S. 3′-Azido-3′-deoxythymidine (BW A509U): an antiviral agent that inhibits the infectivity and cytopathic effect of human T-lymphotropic virus type III/lymphadenopathy-associated virus in vitro. Proc. Natl. Acad. Sci. U.S.A. 82 (1985) 7096-7100
-
(1985)
Proc. Natl. Acad. Sci. U.S.A.
, vol.82
, pp. 7096-7100
-
-
Mitsuya, H.1
Weinhold, K.J.2
Furman, P.A.3
St Clair, M.H.4
Lehrman, S.N.5
Gallo, R.C.6
Bolognesi, D.7
Barry, D.W.8
Broder, S.9
-
11
-
-
0023091963
-
Strategies for antiviral therapy in AIDS
-
Mitsuya H., and Broder S. Strategies for antiviral therapy in AIDS. Nature 325 (1987) 773-778
-
(1987)
Nature
, vol.325
, pp. 773-778
-
-
Mitsuya, H.1
Broder, S.2
-
12
-
-
17944374798
-
Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues
-
Ludovici D.W., De Corte B.L., Kukla M.J., Ye H., Ho C.Y., Lichtenstein M.A., Kavash R.W., Andries K., de Bethune M.P., Azijn H., Pauwels R., Lewi P.J., Heeres J., Koymans L.M., de Jonge M.R., Van Aken K.J., Daeyaert F.F., Das K., Arnold E., and Janssen P.A. Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues. Bioorg. Med. Chem. Lett. 11 (2001) 2235-2239
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, pp. 2235-2239
-
-
Ludovici, D.W.1
De Corte, B.L.2
Kukla, M.J.3
Ye, H.4
Ho, C.Y.5
Lichtenstein, M.A.6
Kavash, R.W.7
Andries, K.8
de Bethune, M.P.9
Azijn, H.10
Pauwels, R.11
Lewi, P.J.12
Heeres, J.13
Koymans, L.M.14
de Jonge, M.R.15
Van Aken, K.J.16
Daeyaert, F.F.17
Das, K.18
Arnold, E.19
Janssen, P.A.20
more..
-
14
-
-
0024310253
-
Multiple mutations in HIV-1 reverse transcriptase confer high-level resistance to Zidovudine (AZT)
-
Larder B.A., and Kemp S.D. Multiple mutations in HIV-1 reverse transcriptase confer high-level resistance to Zidovudine (AZT). Science 246 (1989) 1155-1158
-
(1989)
Science
, vol.246
, pp. 1155-1158
-
-
Larder, B.A.1
Kemp, S.D.2
-
15
-
-
27844455955
-
Acyclic nucleoside phosphonates: a key class of antiviral drugs
-
De Clercq E., and Holy A. Acyclic nucleoside phosphonates: a key class of antiviral drugs. Nat. Rev. Drug Discov. 4 (2005) 928-940
-
(2005)
Nat. Rev. Drug Discov.
, vol.4
, pp. 928-940
-
-
De Clercq, E.1
Holy, A.2
-
16
-
-
0033552881
-
Synthesis and biological properties of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents that target the viral nucleocapsid protein zinc fingers
-
Turpin J.A., Song Y., Inman J.K., Huang M., Wallqvist A., Maynard A., Covell D.G., Rice W.G., and Appella E. Synthesis and biological properties of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents that target the viral nucleocapsid protein zinc fingers. J. Med. Chem. 42 (1999) 67-86
-
(1999)
J. Med. Chem.
, vol.42
, pp. 67-86
-
-
Turpin, J.A.1
Song, Y.2
Inman, J.K.3
Huang, M.4
Wallqvist, A.5
Maynard, A.6
Covell, D.G.7
Rice, W.G.8
Appella, E.9
-
17
-
-
0033927489
-
Novel compounds in preclinical/early clinical development for the treatment of HIV infections
-
De Clercq E. Novel compounds in preclinical/early clinical development for the treatment of HIV infections. Rev. Med. Virol. 10 (2000) 255-277
-
(2000)
Rev. Med. Virol.
, vol.10
, pp. 255-277
-
-
De Clercq, E.1
-
19
-
-
0035821597
-
2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1
-
Chan J.H., Hong J.S., Hunter III R.N., Orr G.F., Cowan J.R., Sherman D.B., Sparks S.M., Reitter B.E., Andrews III C.W., Hazen R.J., Clair M.S., Boone L.R., Ferris R.G., Creech K.L., Roberts G.B., Short S.A., Weaver K., Ott R.J., Ren J., Hopkins A., Stuart D.I., and Stammers D.K. 2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. J. Med. Chem. 44 (2001) 1866-1882
-
(2001)
J. Med. Chem.
, vol.44
, pp. 1866-1882
-
-
Chan, J.H.1
Hong, J.S.2
Hunter III, R.N.3
Orr, G.F.4
Cowan, J.R.5
Sherman, D.B.6
Sparks, S.M.7
Reitter, B.E.8
Andrews III, C.W.9
Hazen, R.J.10
Clair, M.S.11
Boone, L.R.12
Ferris, R.G.13
Creech, K.L.14
Roberts, G.B.15
Short, S.A.16
Weaver, K.17
Ott, R.J.18
Ren, J.19
Hopkins, A.20
Stuart, D.I.21
Stammers, D.K.22
more..
-
20
-
-
0034798063
-
Predicting anti-HIV activity: computational approach using novel topological descriptor
-
Gupta S., Singh M., and Madan A.K. Predicting anti-HIV activity: computational approach using novel topological descriptor. J. Comput. Aid. Mol. Des. 15 (2000) 671-678
-
(2000)
J. Comput. Aid. Mol. Des.
, vol.15
, pp. 671-678
-
-
Gupta, S.1
Singh, M.2
Madan, A.K.3
-
21
-
-
0035353674
-
Wiener index extension by counting even/odd graph distances
-
Ivanciuc O., Ivanciuc T., Klein D.J., Seitz W.A., and Balaban A.T. Wiener index extension by counting even/odd graph distances. J. Chem. Inf. Comput. Sci. 41 (2001) 536-549
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 536-549
-
-
Ivanciuc, O.1
Ivanciuc, T.2
Klein, D.J.3
Seitz, W.A.4
Balaban, A.T.5
-
22
-
-
0035986794
-
Application of topological descriptors in QSAR and drug design: history and new trends
-
Gozalbes R., Doucet J., and Derouin F. Application of topological descriptors in QSAR and drug design: history and new trends. Curr. Drug Targets Infect. Disord. 2 (2002) 93-102
-
(2002)
Curr. Drug Targets Infect. Disord.
, vol.2
, pp. 93-102
-
-
Gozalbes, R.1
Doucet, J.2
Derouin, F.3
-
23
-
-
33751392302
-
Using real numbers as vertex invariants for third-generation topological indexes
-
Balaban A.T. Using real numbers as vertex invariants for third-generation topological indexes. J. Chem. Inf. Comput. Sci. 32 (1992) 23-28
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 23-28
-
-
Balaban, A.T.1
-
24
-
-
33750316439
-
Model for prediction of anti-HIV activity of 2-pyridinone derivatives using novel topological descriptor
-
Bajaj S., Sambi S.S., and Madan A.K. Model for prediction of anti-HIV activity of 2-pyridinone derivatives using novel topological descriptor. QSAR Comb. Sci. 25 (2006) 813-823
-
(2006)
QSAR Comb. Sci.
, vol.25
, pp. 813-823
-
-
Bajaj, S.1
Sambi, S.S.2
Madan, A.K.3
-
25
-
-
33750067961
-
2A receptor antagonistic activity of arylindoles: computational approach using topochemical descriptors
-
2A receptor antagonistic activity of arylindoles: computational approach using topochemical descriptors. J. Mol. Graph. Model. 25 (2006) 373-379
-
(2006)
J. Mol. Graph. Model.
, vol.25
, pp. 373-379
-
-
Dureja, H.1
Madan, A.K.2
|