-
1
-
-
0035467993
-
Global cancer statistics in the year 2000
-
Parkin, D. M. Global cancer statistics in the year 2000. Lancet Oncol. 2001, 2, 533-543.
-
(2001)
Lancet Oncol.
, vol.2
, pp. 533-543
-
-
Parkin, D.M.1
-
2
-
-
0037106275
-
Anticancer Drug Discovery and Development Throughout the World
-
Schwartsmann, G.; Ratain, M. J.; Cragg, G. M.; Wong, J. E.; Saijo, N.; Parkinson, D. R.; Fujiwara, Y.; Pazdur, R.; Newman, D. J.; Dagher, R.; Di Leone, L. Anticancer Drug Discovery and Development Throughout the World. J. Clin. Oncol. 2002, 20, 47s-59s.
-
(2002)
J. Clin. Oncol.
, vol.20
-
-
Schwartsmann, G.1
Ratain, M.J.2
Cragg, G.M.3
Wong, J.E.4
Saijo, N.5
Parkinson, D.R.6
Fujiwara, Y.7
Pazdur, R.8
Newman, D.J.9
Dagher, R.10
Di Leone, L.11
-
3
-
-
16844375686
-
Chemical approaches to the discovery and development of cancer therapies
-
Neidle, S.; Thurston, D. E. Chemical approaches to the discovery and development of cancer therapies. Nat. Rev. Cancer 2005, 5, 285-296.
-
(2005)
Nat. Rev. Cancer
, vol.5
, pp. 285-296
-
-
Neidle, S.1
Thurston, D.E.2
-
4
-
-
18444404643
-
Synthesis and Biological Activity of New Class of Dioxygenated Anticancer Agents
-
Pujol, M. D.; Romero, M.; Sanchez, I. Synthesis and Biological Activity of New Class of Dioxygenated Anticancer Agents. Curr. Med. Chem. Anticancer Agents 2005, 5, 215-237.
-
(2005)
Curr. Med. Chem. Anticancer Agents
, vol.5
, pp. 215-237
-
-
Pujol, M.D.1
Romero, M.2
Sanchez, I.3
-
5
-
-
0036519363
-
DNA and its associated processes as targets for cancer therapy
-
Hurley, L. H. DNA and its associated processes as targets for cancer therapy. Nature Rev. Cancer 2002, 2, 188-200.
-
(2002)
Nature Rev. Cancer
, vol.2
, pp. 188-200
-
-
Hurley, L.H.1
-
6
-
-
1542725073
-
Targeting the checkpoint kinases: Chemosensitization versus chemoprotection
-
Zhou, B-B. S.; Bartek, J. Targeting the checkpoint kinases: chemosensitization versus chemoprotection. Nat. Rev. Cancer 2004, 4, 216-225.
-
(2004)
Nat. Rev. Cancer
, vol.4
, pp. 216-225
-
-
Zhou, B.-B.S.1
Bartek, J.2
-
8
-
-
0034782523
-
Intercalators as Anticancer Drugs
-
Brana, M. F.; Cacho, M.; Gradillas, A.; Ramos, A. Intercalators as Anticancer Drugs. Curr. Pharm. Des. 2001, 7, 1745-1780.
-
(2001)
Curr. Pharm. Des.
, vol.7
, pp. 1745-1780
-
-
Brana, M.F.1
Cacho, M.2
Gradillas, A.3
Ramos, A.4
-
9
-
-
0036224847
-
DNA-Binding of Drugs Used in Medicinal Therapies
-
Bischoff, G.; Hoffmann, S. DNA-Binding of Drugs Used in Medicinal Therapies. Curr. Med. Chem. 2002, 9, 321-348.
-
(2002)
Curr. Med. Chem.
, vol.9
, pp. 321-348
-
-
Bischoff, G.1
Hoffmann, S.2
-
10
-
-
0024805768
-
DNA-intercalating ligands as anti-cancer drugs: Prospects for future design
-
Denny, W. A. DNA-intercalating ligands as anti-cancer drugs: prospects for future design. Anti-Cancer Drug Des. 1989, 4, 241-263.
-
(1989)
Anti-Cancer Drug Des.
, vol.4
, pp. 241-263
-
-
Denny, W.A.1
-
11
-
-
0028719174
-
DNA topoisomerases as targets of therapeutics: An overview
-
Liu, L. F., Ed.; Academic Press: New York
-
Wang, J. C. DNA topoisomerases as targets of therapeutics: an overview. In Advances in Pharmacology; Liu, L. F., Ed.; Academic Press: New York, 1994; 29A, pp 1-19.
-
(1994)
Advances in Pharmacology
, vol.29 A
, pp. 1-19
-
-
Wang, J.C.1
-
12
-
-
0028677807
-
Mechanism of action of topoisomerase II-targeted antineoplastic drugs
-
Osheroff, N.; Corbett, A. H.; Robinson, M. J. Mechanism of action of topoisomerase II-targeted antineoplastic drugs. Adv. Pharmacol. B 1994, 29, 105-126.
-
(1994)
Adv. Pharmacol. B
, vol.29
, pp. 105-126
-
-
Osheroff, N.1
Corbett, A.H.2
Robinson, M.J.3
-
13
-
-
0026783448
-
DNA topoisomerase-trapping antitumour drugs
-
Capranico, G.; Zunino, F. DNA topoisomerase-trapping antitumour drugs. Eur. J. Cancer 1992, 28A, 2055-2060.
-
(1992)
Eur. J. Cancer
, vol.28 A
, pp. 2055-2060
-
-
Capranico, G.1
Zunino, F.2
-
14
-
-
0025162895
-
Uncoupling the DNA cleavage and religation activities of topoisomerase II with a single-stranded nucleic acid substrate: Evidence for an active enzyme-cleaved DNA intermediate
-
Gale, K. C.; Osheroff, N. Uncoupling the DNA cleavage and relegation activities of topoisomerase II with a single-stranded nucleic acid substrate: evidence for an active enzyme-cleaved DNA intermediate. Biochemistry 1990, 29, 9538-9545. (Pubitemid 20355200)
-
(1990)
Biochemistry
, vol.29
, Issue.41
, pp. 9538-9545
-
-
Gale, K.C.1
Osheroff, N.2
-
15
-
-
0036085460
-
Cellular roles of DNA topoisomerases: A molecular perspective
-
Wang, J. C. Cellular roles of DNA topoisomerases: a molecular perspective. Nat. Rev. Mol. Cell. Biol. 2002, 3, 430-440.
-
(2002)
Nat. Rev. Mol. Cell. Biol.
, vol.3
, pp. 430-440
-
-
Wang, J.C.1
-
16
-
-
0032489634
-
Crystal Structures of Human Topoisomerase I in Covalent and Noncovalent Complexes with DNA
-
Redinbo, M. R.; Stewart, L.; Kuhn, P.; Champoux, J. J.; Hol, W. G. Crystal Structures of Human Topoisomerase I in Covalent and Noncovalent Complexes with DNA. Science 1998, 279, 1504-1513.
-
(1998)
Science
, vol.279
, pp. 1504-1513
-
-
Redinbo, M.R.1
Stewart, L.2
Kuhn, P.3
Champoux, J.J.4
Hol, W.G.5
-
17
-
-
22744457037
-
Human DNA topoisomerase I: Relaxation, roles and damage control
-
Leppard, J. B.; Champoux, J. J. Human DNA topoisomerase I: relaxation, roles and damage control. Chromosoma 2005, 114, 75-85.
-
(2005)
Chromosoma
, vol.114
, pp. 75-85
-
-
Leppard, J.B.1
Champoux, J.J.2
-
18
-
-
28844455588
-
Recent advances in understanding structure-function relationships in the type II topoisomerase mechanism
-
Schoeffler, A. J.; Berger, J. M. Recent advances in understanding structure-function relationships in the type II topoisomerase mechanism. Biochem. Soc. Trans. 2005, 33, 1465-1470.
-
(2005)
Biochem. Soc. Trans.
, vol.33
, pp. 1465-1470
-
-
Schoeffler, A.J.1
Berger, J.M.2
-
19
-
-
64649105115
-
DNA topoisomerase II and its growing repertoire of biological functions
-
Nitiss, J. L. DNA topoisomerase II and its growing repertoire of biological functions. Nat. Rev. Cancer 2009, 9, 327-337.
-
(2009)
Nat. Rev. Cancer
, vol.9
, pp. 327-337
-
-
Nitiss, J.L.1
-
20
-
-
0024316466
-
DNA topoisomerase poisons as antitumor drugs
-
Liu, L. F. DNA topoisomerase poisons as antitumor drugs. Annu. Rev. Biochem. 1989, 58, 351-375.
-
(1989)
Annu. Rev. Biochem.
, vol.58
, pp. 351-375
-
-
Liu, L.F.1
-
21
-
-
0030699166
-
Dual topoisomerase I/II poisons as anticancer drugs
-
Denny, W. A. Dual topoisomerase I/II poisons as anticancer drugs. Expert Opin. Invest. Drugs 1997, 6, 1845-1851.
-
(1997)
Expert Opin. Invest. Drugs
, vol.6
, pp. 1845-1851
-
-
Denny, W.A.1
-
22
-
-
0028677817
-
Mechanisms of topoisomerase I inhibition by anticancer drugs
-
Liu L. F., Ed.; Academic Press: New York
-
Pommier, Y.; Tanizawa, A.; Kohn, K. W. Mechanisms of topoisomerase I inhibition by anticancer drugs. In Advances in Pharmacology; Liu L. F., Ed.; Academic Press: New York, 1994; Vol.29B, pp 73-92.
-
(1994)
Advances in Pharmacology
, vol.29 B
, pp. 73-92
-
-
Pommier, Y.1
Tanizawa, A.2
Kohn, K.W.3
-
23
-
-
0009848001
-
DNA Topoisomerases as Anticancer Drug Targets: From the Laboratory to the Clinic
-
Holden, J. A. DNA Topoisomerases as Anticancer Drug Targets: From the Laboratory to the Clinic. Curr. Med. Chem. Anticancer Agents 2001, 1, 1-25.
-
(2001)
Curr. Med. Chem. Anticancer Agents
, vol.1
, pp. 1-25
-
-
Holden, J.A.1
-
24
-
-
0042346439
-
Catalytic topoisomerase II inhibitors in cancer therapy
-
Larsen, A. K.; Escargueil, A. E.; Skladanowski, A. Catalytic topoisomerase II inhibitors in cancer therapy. Pharmacol. Ther. 2003, 99, 167-181.
-
(2003)
Pharmacol. Ther.
, vol.99
, pp. 167-181
-
-
Larsen, A.K.1
Escargueil, A.E.2
Skladanowski, A.3
-
25
-
-
33749034730
-
Topoisomerase I inhibitors: Camptothecins and beyond
-
Pommier, Y. Topoisomerase I inhibitors: camptothecins and beyond. Nat. Rev. Cancer 2006, 6, 789-802.
-
(2006)
Nat. Rev. Cancer
, vol.6
, pp. 789-802
-
-
Pommier, Y.1
-
26
-
-
64649090292
-
Targeting DNA topoisomerase II in cancer chemotherapy
-
Nitiss, J. L. Targeting DNA topoisomerase II in cancer chemotherapy. Nat. Rev. Cancer 2009, 9, 338-350.
-
(2009)
Nat. Rev. Cancer
, vol.9
, pp. 338-350
-
-
Nitiss, J.L.1
-
27
-
-
1642565157
-
Recent Anticancer Cytotoxic Agents
-
Cozzi, P.; Mongelli, N.; Suarato, A. Recent Anticancer Cytotoxic Agents. Curr. Med. Chem. - Anti-Cancer Agents 2004, 4, 93-121.
-
(2004)
Curr. Med. Chem. - Anti-Cancer Agents
, vol.4
, pp. 93-121
-
-
Cozzi, P.1
Mongelli, N.2
Suarato, A.3
-
29
-
-
33750552551
-
Mechanisms of cellular resistance to camptothecins
-
Beretta, G. L.; Perego, P.; Zunino, F. Mechanisms of cellular resistance to camptothecins. Curr. Med. Chem. 2006, 13, 3291-3305.
-
(2006)
Curr. Med. Chem.
, vol.13
, pp. 3291-3305
-
-
Beretta, G.L.1
Perego, P.2
Zunino, F.3
-
30
-
-
45749087355
-
Synthesis, Cytotoxicity, DNA Interaction, and Topoisomerase II Inhibition Properties of Novel Indeno[2,1-c]quinolin-7-one and Indeno[1,2-c]isoquinolin-5, 11-dione Derivatives
-
Ryckebusch, A.; Garcin, D.; Lansiaux, A.; Goossens, J. F.; Baldeyrou, B.; Houssin, R.; Bailly, C.; Hénichart, J. P. Synthesis, Cytotoxicity, DNA Interaction, and Topoisomerase II Inhibition Properties of Novel Indeno[2,1-c]quinolin-7-one and Indeno[1,2-c]isoquinolin-5,11-dione Derivatives. J. Med. Chem. 2008, 51 (12), 3617-3629.
-
(2008)
J. Med. Chem.
, vol.51
, Issue.12
, pp. 3617-3629
-
-
Ryckebusch, A.1
Garcin, D.2
Lansiaux, A.3
Goossens, J.F.4
Baldeyrou, B.5
Houssin, R.6
Bailly, C.7
Hénichart, J.P.8
-
31
-
-
56249087609
-
Design and Synthesis of a Novel Series of Pyranonaphthoquinones as Topoisomerase II Catalytic Inhibitors
-
Jiménez-Alonso, S.; Chávez Orellana, H.; Estévez-Braun, A.; G. Ravelo, A.; Pérez-Sacau, E.; Machín, F. Design and Synthesis of a Novel Series of Pyranonaphthoquinones as Topoisomerase II Catalytic Inhibitors. J. Med. Chem. 2008, 51, 6761-6772.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 6761-6772
-
-
Jiménez-Alonso, S.1
Chávez Orellana, H.2
Estévez-Braun Foreword A3
G. Ravelo, A.4
Pérez-Sacau, E.5
Machín, F.6
-
32
-
-
39749119942
-
Next generation topoisomerase I inhibitors: Rationale and biomarker strategies
-
Teicher, B. A. Next generation topoisomerase I inhibitors: rationale and biomarker strategies. Biochem. Pharmacol. 2008, 75, 1262-1271.
-
(2008)
Biochem. Pharmacol.
, vol.75
, pp. 1262-1271
-
-
Teicher, B.A.1
-
33
-
-
51449098818
-
Novel angular furoquinolinones bearing flexible chain as antitumor agent: Design, synthesis, cytotoxic evaluation, and DNA-binding studies
-
Xie, L.; Qian, X.; Cui, J.; Xiao, Y.; Wang, K.; Wu, P.; Cong, L. Novel angular furoquinolinones bearing flexible chain as antitumor agent: design, synthesis, cytotoxic evaluation, and DNA-binding studies. Bioorg. Med. Chem. 2008, 16, 8713-8718.
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 8713-8718
-
-
Xie, L.1
Qian, X.2
Cui, J.3
Xiao, Y.4
Wang, K.5
Wu, P.6
Cong, L.7
-
34
-
-
0034040082
-
Topoisomerase I Poisons and Suppressors as Anticancer Drugs
-
and references therein
-
Bailly, C. Topoisomerase I Poisons and Suppressors as Anticancer Drugs. Curr. Med. Chem. 2000, 7, 39-58 and references therein.
-
(2000)
Curr. Med. Chem.
, vol.7
, pp. 39-58
-
-
Bailly, C.1
-
35
-
-
0026026263
-
DNA intercalating anti-tumour agents
-
Baguley, B. C. DNA intercalating anti-tumour agents. Anti-Cancer Drug Des. 1991, 6, 1-35.
-
(1991)
Anti-Cancer Drug Des.
, vol.6
, pp. 1-35
-
-
Baguley, B.C.1
-
36
-
-
0002182396
-
Antitumor Inhibitors of DNA Topoisomerases
-
Capranico, G.; Zunino, F. Antitumor Inhibitors of DNA Topoisomerases. Curr. Pharm. Des. 1995, 1, 1-14.
-
(1995)
Curr. Pharm. Des.
, vol.1
, pp. 1-14
-
-
Capranico, G.1
Zunino, F.2
-
37
-
-
0032425573
-
Synthesis, DNA binding and in vitro antiproliferative activity of purinoquinazoline, pyridopyrimidopurine and pyridopyrimidobenzimidazole derivatives as potential antitumor agents
-
Da Settimo, A.; Da Settimo, F.; Marini, A. M.; Primofiore, G.; Salerno, S.; Viola, G.; Dalla Via, L.; Marciani Magno, S. Synthesis, DNA binding and in vitro antiproliferative activity of purinoquinazoline, pyridopyrimidopurine and pyridopyrimidobenzimidazole derivatives as potential antitumor agents. Eur. J. Med. Chem. 1998, 33, 685-696.
-
(1998)
Eur. J. Med. Chem.
, vol.33
, pp. 685-696
-
-
Da Settimo, A.1
Da Settimo, F.2
Marini, A.M.3
Primofiore, G.4
Salerno, S.5
Viola, G.6
Dalla Via, L.7
Marciani Magno, S.8
-
38
-
-
0035305645
-
Synthesis, in vitro antiproliferative activity and DNA-interaction of benzimidazoquinazoline derivatives as potential anti-tumor agents
-
Dalla Via, L.; Gia, O.; Marciani Magno, S.; Da Settimo, A.; Marini, A. M.; Primofiore, G.; Da Settimo, F.; Salerno, S. Synthesis, in vitro antiproliferative activity and DNA-interaction of benzimidazoquinazoline derivatives as potential anti-tumor agents. Il Farmaco 2001, 56, 159-167.
-
(2001)
Il Farmaco
, vol.56
, pp. 159-167
-
-
Dalla Via, L.1
Gia, O.2
Marciani Magno, S.3
Da Settimo, A.4
Marini, A.M.5
Primofiore, G.6
Da Settimo, F.7
Salerno, S.8
-
39
-
-
0036592376
-
Dialkylaminoalkylindolonaphthyridines as potential antitumour agents: Synthesis, cytotoxicity and DNA binding properties
-
Dalla Via, L.; Gia, O.; Marciani Magno, S.; Da Settimo, A.; Primofiore, G.; Simorini, F.; Marini, A. M.; Da Settimo, F. Dialkylaminoalkylindolonaphthyridines as potential antitumour agents: synthesis, cytotoxicity and DNA binding properties. Eur. J. Med. Chem. 2002, 37, 475-486.
-
(2002)
Eur. J. Med. Chem.
, vol.37
, pp. 475-486
-
-
Dalla Via, L.1
Gia, O.2
Marciani Magno, S.3
Da Settimo, A.4
Primofiore, G.5
Simorini, F.6
Marini, A.M.7
Da Settimo, F.8
-
40
-
-
33751115529
-
Mitochondrial permeability transition induced by novel pyridothiopyranopyrimidine derivatives: Potential new antimitochondrial antitumour agents
-
Dalla Via, L.; Marini, A. M; Salerno, S.; Toninello, A. Mitochondrial permeability transition induced by novel pyridothiopyranopyrimidine derivatives: potential new antimitochondrial antitumour agents. Biochem. Pharmacol. 2006, 72, 1657-1667.
-
(2006)
Biochem. Pharmacol.
, vol.72
, pp. 1657-1667
-
-
Dalla Via, L.1
Marini, A.M.2
Salerno, S.3
Toninello, A.4
-
41
-
-
57649224051
-
Synthesis and biological activity of 1,4-dihydrobenzothiopyrano[4,3-c] pyrazole derivatives, novel pro-apoptotic mitochondrial targeted agents
-
Dalla Via, L.; Marini, A. M.; Salerno, S.; La Motta, C.; Condello, M.; Arancia, G.; Agostinelli, E.; Toninello, A. Synthesis and biological activity of 1,4-dihydrobenzothiopyrano[4,3-c]pyrazole derivatives, novel pro-apoptotic mitochondrial targeted agents. Bioorg. Med. Chem. 2009, 17, 326-336.
-
(2009)
Bioorg. Med. Chem.
, vol.17
, pp. 326-336
-
-
Dalla Via, L.1
Marini, A.M.2
Salerno, S.3
La Motta, C.4
Condello, M.5
Arancia, G.6
Agostinelli, E.7
Toninello, A.8
-
43
-
-
0005175244
-
Muscarine-like action of some halogenated derivatives of alkyltrimethylammoniums (homologs of bromocholine). II. Chemistry
-
Marechal, R.; Bagot, J. Muscarine-like action of some halogenated derivatives of alkyltrimethylammoniums (homologs of bromocholine). II. Chemistry. Ann. Pharm. Fr. 1946, 4, 172-181.
-
(1946)
Ann. Pharm. Fr.
, vol.4
, pp. 172-181
-
-
Marechal, R.1
Bagot, J.2
-
44
-
-
0030539192
-
Thermodynamic treatment of ligand-receptor interactions
-
(a) Di Noto, V.; Dalla Via, L.; Toninello, A.; Vidali, M. Thermodynamic treatment of ligand-receptor interactions. Macromol. Theory Simul. 1996, 5, 165-181.
-
(1996)
Macromol. Theory Simul.
, vol.5
, pp. 165-181
-
-
Di Noto, V.1
Dalla Via, L.2
Toninello, A.3
Vidali, M.4
-
45
-
-
0037013645
-
Review of binding methods and detection of Al(III) binding events in trypsin and DL-DPPC liposomes by a general thermodynamic model
-
(b) Di Noto, V.; Dalla Via, L.; Zatta, P. Review of binding methods and detection of Al(III) binding events in trypsin and DL-DPPC liposomes by a general thermodynamic model. Coord. Chem. Rev. 2002, 228, 343-363.
-
(2002)
Coord. Chem. Rev.
, vol.228
, pp. 343-363
-
-
Di Noto, V.1
Dalla Via, L.2
Zatta, P.3
-
46
-
-
0030837543
-
Interactions of Deglycosylated Cobalt(III)-Pepleomycin (Green Form) with DNA Based on NMR Structural Studies
-
Caceres-Cortes, J.; Sugiyama, H.; Ikudome, K.; Saito, I.; Wang, A. H.-J. Interactions of Deglycosylated Cobalt(III)-Pepleomycin (Green Form) with DNA Based on NMR Structural Studies. Biochemistry 1997, 36, 9995-10005.
-
(1997)
Biochemistry
, vol.36
, pp. 9995-10005
-
-
Caceres-Cortes, J.1
Sugiyama, H.2
Ikudome, K.3
Saito, I.4
Wang, A.H.-J.5
-
47
-
-
11644261806
-
Automated Docking Using a Lamarckian Genetic Algorithm and an Empirical Binding Free Energy Function
-
Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. Automated Docking Using a Lamarckian Genetic Algorithm and an 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
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
48
-
-
20844451957
-
-
University of California: San Francisco, CA
-
Case, D. A.; Darden, T. A.; Cheatham, T. E., III; Simmerling, C. L.; Wang, J.; Duke, R. E.; Luo, R.; Merz, K. M.; Pearlman, D. A.; Crowley, M.; Walker, R. C.; Zhang, W.; Wang, B.; Hayik, S.; Roitberg, A.; Seabra, G.; Wong, K. F.; Paesani, F.; Wu, X.; Brozell, S.; Tsui, V.; Gohlke, H.; Yang, L.; Tan, C.; Mongan, J.; Hornak, V.; Cui, G.; Beroza, P.; Mathews, D. H.; Schafmeister, C.; Ross, W. S.; Kollman, P. A. AMBER, version 9; University of California: San Francisco, CA, 2006.
-
(2006)
AMBER, Version 9
-
-
Case, D.A.1
Darden, T.A.2
Cheatham III, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Merz, K.M.8
Pearlman, D.A.9
Crowley, M.10
Walker, R.C.11
Zhang, W.12
Wang, B.13
Hayik, S.14
Roitberg, A.15
Seabra, G.16
Wong, K.F.17
Paesani, F.18
Wu, X.19
Brozell, S.20
Tsui, V.21
Gohlke, H.22
Yang, L.23
Tan, C.24
Mongan, J.25
Hornak, V.26
Cui, G.27
Beroza, P.28
Mathews, D.H.29
Schafmeister, C.30
Ross, W.S.31
Kollman, P.A.32
more..
-
49
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
-
Wang, J. M.; Cieplak, P.; Kollman, P. A. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J. Comput. Chem. 2000, 21, 1049-1074.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 1049-1074
-
-
Wang, J.M.1
Cieplak, P.2
Kollman, P.A.3
-
50
-
-
2942532422
-
Development and testing of a general Amber force field
-
Wang, J.; Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. Development and testing of a general Amber force field. J. Comput. Chem. 2004, 25, 1157-1174.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
51
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
(a) Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
52
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
-
(b) Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J. Phys. Chem. 1994, 98, 11623-11627.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
53
-
-
0038617502
-
Improved Second-Order Møller-Plesset Perturbation Theory by Separate Scaling of Parallel- and Antiparallel-Spin Pair Correlation Energies
-
Grimme, S. Improved Second-Order Møller-Plesset Perturbation Theory by Separate Scaling of Parallel- and Antiparallel-Spin Pair Correlation Energies. J. Chem. Phys. 2003, 118, 9095-9102.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 9095-9102
-
-
Grimme, S.1
-
54
-
-
38949185693
-
Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study
-
Pavone, M.; Rega, N.; Barone, V. Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study. Chem. Phys. Lett. 2008, 452, 333-339.
-
(2008)
Chem. Phys. Lett.
, vol.452
, pp. 333-339
-
-
Pavone, M.1
Rega, N.2
Barone, V.3
-
55
-
-
15744375697
-
-
Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J., J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al. Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
56
-
-
84961980743
-
COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
(a) Klamt, A.; Schurmann, G. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc., Perkin Trans. 2 1993, 2, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schurmann, G.2
-
57
-
-
84961985847
-
Quantum calculation of molecular energy gradients in solution by a conductor solvent model
-
(b) Barone, V.; Cossi, M. J. Quantum calculation of molecular energy gradients in solution by a conductor solvent model. J. Phys. Chem. A 1998, 102, 1995-2001.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.J.2
-
58
-
-
84946893847
-
Electrostatic interaction of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects
-
Miertus, S.; Scrocco, E.; Tomasi, J. Electrostatic interaction of a solute with a continuum. A direct utilization of ab initio molecular potentials for the prevision of solvent effects. Chem. Phys. 1981, 55, 117-129.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117-129
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
59
-
-
18244362068
-
On the Binding of Indeno[1,2-c]isoquinolines in the DNA-Topoisomerase I Cleavage Complex
-
Xiao, X.; Antony, S.; Pommier, Y.; Cushman, M. On the Binding of Indeno[1,2-c]isoquinolines in the DNA-Topoisomerase I Cleavage Complex. J. Med. Chem. 2005, 48, 3231-3238.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 3231-3238
-
-
Xiao, X.1
Antony, S.2
Pommier, Y.3
Cushman, M.4
-
60
-
-
0028174984
-
DNA topoisomerases: Essential enzymes and lethal targets
-
Chen, A. Y.; Liu, L. F. DNA topoisomerases: essential enzymes and lethal targets. Annu. Rev. Pharmacol. Toxicol. 1994, 34, 191-218.
-
(1994)
Annu. Rev. Pharmacol. Toxicol.
, vol.34
, pp. 191-218
-
-
Chen, A.Y.1
Liu, L.F.2
-
61
-
-
0028046036
-
Structure and function of type II DNA topoisomerases
-
Watt, P. M.; Hickson, I. D. Structure and function of type II topoisomerases. Biochem. J. 1994, 303, 681-695. (Pubitemid 24325996)
-
(1994)
Biochemical Journal
, vol.303
, Issue.3
, pp. 681-695
-
-
Watt, P.M.1
Hickson, I.D.2
-
62
-
-
33747600400
-
Bisindenoisoquinoline bis-1,3-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c] isoquinoline)-6-propylamino}propane bis(trifluoroacetate) (NSC 727357), a DNA intercalator and topoisomerase inhibitor with antitumor activity
-
Antony, S.; Agama, K. K.; Miao, Z.-H.; Hollingshead, M.; Holbeck, S. L.; Wright, M. H.; Varticovski, L.; Nagarajan, M.; Morrell, A.; Cushman, M.; Pommier, Y. Bisindenoisoquinoline bis-1,3-{(5,6-dihydro-5,11-diketo-11H- indeno[1,2-c]isoquinoline)-6-propylamino}propane bis(trifluoroacetate) (NSC 727357), a DNA intercalator and topoisomerase inhibitor with antitumor activity. Mol. Pharmacol. 2006, 70, 1109-1120.
-
(2006)
Mol. Pharmacol.
, vol.70
, pp. 1109-1120
-
-
Antony, S.1
Agama, K.K.2
Miao, Z.-H.3
Hollingshead, M.4
Holbeck, S.L.5
Wright, M.H.6
Varticovski, L.7
Nagarajan, M.8
Morrell, A.9
Cushman, M.10
Pommier, Y.11
-
63
-
-
0025941508
-
Mitoxantrone resistance in HL-60 leukemia cells: Reduced nuclear topoisomerase II catalytic activity and drug-induced DNA cleavage in association with reduced expression of the topoisomerase II β isoform
-
Harker, W. G.; Slade, D. L.; Drake, F. H.; Parr, R. L. Mitoxantrone resistance in HL-60 leukemia cells: reduced nuclear topoisomerase II catalytic activity and drug-induced DNA cleavage in association with reduced expression of the topoisomerase II β isoform. Biochemistry 1991, 30, 9953-9961.
-
(1991)
Biochemistry
, vol.30
, pp. 9953-9961
-
-
Harker, W.G.1
Slade, D.L.2
Drake, F.H.3
Parr, R.L.4
-
64
-
-
0345552446
-
Dual topoisomerase I/II in Cancer Therapy
-
and references therein
-
Denny, W. A.; Baguley, B. C. Dual topoisomerase I/II in Cancer Therapy. Curr. Top. Med. Chem. 2003, 3, 1349-1364, and references therein.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 1349-1364
-
-
Denny, W.A.1
Baguley, B.C.2
-
65
-
-
73649209034
-
Determination of the base composition of the deoxyribonucleic acid from its thermal denaturation temperature
-
Marmur, J.; Doty, P. Determination of the base composition of the deoxyribonucleic acid from its thermal denaturation temperature. J. Mol. Biol. 1962, 5, 109.
-
(1962)
J. Mol. Biol.
, vol.5
, pp. 109
-
-
Marmur, J.1
Doty, P.2
-
66
-
-
0000132753
-
Instrument for the studies of differential flow dichroism of polymer solutions
-
Wada, A.; Kozawa, S. Instrument for the studies of differential flow dichroism of polymer solutions. J. Polym. Sci., Part A: Polym. Chem. 1964, 2, 853-864.
-
(1964)
J. Polym. Sci., Part A: Polym. Chem.
, vol.2
, pp. 853-864
-
-
Wada, A.1
Kozawa, S.2
-
67
-
-
84962465056
-
-
Schrodinger Inc.: Portland, OR
-
(a) MacroModel version 9.0; Schrodinger Inc.: Portland, OR, 1998-2001.
-
(1998)
MacroModel Version 9.0
-
-
-
68
-
-
84986437005
-
MacroModel-an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
-
(b) Mohamadi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T.; Still, W. C. MacroModel-an integrated software system for modeling organic and bioorganic molecules using molecular mechanics. J. Comput. Chem. 1990, 11, 440-467.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 440-467
-
-
Mohamadi, F.1
Richards, N.G.J.2
Guida, W.C.3
Liskamp, R.4
Lipton, M.5
Caufield, C.6
Chang, G.7
Hendrickson, T.8
Still, W.C.9
-
69
-
-
0035913529
-
Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides
-
(a) Kaminski, G. A.; Friesner, R. A.; Tirado-Rives, J.; Jorgensen, W. J. Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides. J. Phys. Chem. B 2001, 105, 6474-6487.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.J.4
-
70
-
-
33645941402
-
The OPLS Potential Functions for Proteins. Energy Minimization for Crystals of Cyclic Peptides and Crambin
-
(b) Jorgensen, W. L.; Tirado-Rives, J. The OPLS Potential Functions for Proteins. Energy Minimization for Crystals of Cyclic Peptides and Crambin. J. Am. Chem. Soc. 1988, 110, 1657-1666.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 1657-1666
-
-
Jorgensen, W.L.1
Tirado-Rives, J.2
-
71
-
-
84962465059
-
Pymol version 0.98
-
DeLano-Scientific: San Carlos, CA
-
Pymol version 0.98. DeLano, W. L. The PyMOL Molecular Graphics System; DeLano-Scientific: San Carlos, CA, 2002; www.pymol.org.
-
(2002)
The PyMOL Molecular Graphics System
-
-
DeLano, W.L.1
-
72
-
-
0001635093
-
The Cambridge crystallographic data center: Computer-based search, retrieval, analysis and display of information
-
Allen, F. H.; Bellard, S.; Brice, M. D.; Cartwright, B. A.; Doubleday, A.; Higgs, H.; Hummelink, T.; Hummelink-Peters, B. G.; Kennard, O.; Motherwell, W. D. S. The Cambridge crystallographic data center: computer-based search, retrieval, analysis and display of information. Acta Crystallogr., Sect. B: Struct. Sci. 1979, 35, 2331-2339.
-
(1979)
Acta Crystallogr., Sect. B: Struct. Sci.
, vol.35
, pp. 2331-2339
-
-
Allen, F.H.1
Bellard, S.2
Brice, M.D.3
Cartwright, B.A.4
Doubleday, A.5
Higgs, H.6
Hummelink, T.7
Hummelink-Peters, B.G.8
Kennard, O.9
Motherwell, W.D.S.10
-
73
-
-
33947716119
-
A semiempirical free energy force field with charge-based desolvation
-
(a) Huey, R.; Morris, G. M.; Olson, A. J.; Goodsell, D. S. A semiempirical free energy force field with charge-based desolvation. J. Comput. Chem. 2007, 28, 1145-1152.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 1145-1152
-
-
Huey, R.1
Morris, G.M.2
Olson, A.J.3
Goodsell, D.S.4
-
74
-
-
33747200808
-
Combining docking and molecular dynamic simulations in drug design
-
(b) Alonso, H.; Bliznyuk, A. A.; Gready, J. E. Combining docking and molecular dynamic simulations in drug design. Med. Res. Rev. 2006, 26, 531-568.
-
(2006)
Med. Res. Rev.
, vol.26
, pp. 531-568
-
-
Alonso, H.1
Bliznyuk, A.A.2
Gready, J.E.3
|