-
4
-
-
0035492205
-
2 inhibition: syntheses and structure-activity relationships in 1-arylsulfamido-2-alkylpiperazines
-
2 inhibition: syntheses and structure-activity relationships in 1-arylsulfamido-2-alkylpiperazines. Eur. J. Med. Chem. 36 (2001) 809-828
-
(2001)
Eur. J. Med. Chem.
, vol.36
, pp. 809-828
-
-
Binisti, C.1
Assogba, L.2
Touboul, E.3
Mounier, C.4
Huet, J.5
Ombetta, J.6
Dong, C.Z.7
Redeuilh, C.8
Heymans, F.9
Godfroid, J.J.10
-
5
-
-
33947693257
-
A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical
-
Calgarotto A.K., Miotto S., Honório K.M., Da Silva A.B.F., Marangoni S., Silva J.L., Comar Jr. M., Oliveira K.M.T., and Da Silva S.L. A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical. J. Mol. Struct. (Theochem.) 808 (2007) 25-33
-
(2007)
J. Mol. Struct. (Theochem.)
, vol.808
, pp. 25-33
-
-
Calgarotto, A.K.1
Miotto, S.2
Honório, K.M.3
Da Silva, A.B.F.4
Marangoni, S.5
Silva, J.L.6
Comar Jr., M.7
Oliveira, K.M.T.8
Da Silva, S.L.9
-
7
-
-
0036714237
-
2 inhibition for the synthesis of prostaglandins by the plant alkaloid aristolochic acid from a 1.7 A crystal structure
-
2 inhibition for the synthesis of prostaglandins by the plant alkaloid aristolochic acid from a 1.7 A crystal structure. Biochemistry 41 (2002) 10914-10919
-
(2002)
Biochemistry
, vol.41
, pp. 10914-10919
-
-
Chandra, V.1
Jasti, J.2
Kaur, P.3
Srinivasan, A.4
Betzel, C.5
Singh, T.P.6
-
9
-
-
0037696588
-
Neolignan analogues tested against leishmaniasis. A study of structure-activity relationships and a proposal for the shape of the receptor cavity
-
Costa M.C.A., and Takahata Y. Neolignan analogues tested against leishmaniasis. A study of structure-activity relationships and a proposal for the shape of the receptor cavity. J. Mol. Struct. (Theochem.) 625 (2003) 257-263
-
(2003)
J. Mol. Struct. (Theochem.)
, vol.625
, pp. 257-263
-
-
Costa, M.C.A.1
Takahata, Y.2
-
10
-
-
0032509797
-
A correlation between geometric features and analgesic activity for a series of cannabinoid compounds
-
Da Silva S.L., Arroio A., Da Silva A.B.F., and Trsic M. A correlation between geometric features and analgesic activity for a series of cannabinoid compounds. J. Mol. Struct. 441 (1998) 97-100
-
(1998)
J. Mol. Struct.
, vol.441
, pp. 97-100
-
-
Da Silva, S.L.1
Arroio, A.2
Da Silva, A.B.F.3
Trsic, M.4
-
11
-
-
5444272591
-
The influence of electronic, steric and hydrophobic properties of flavonoid compounds in the inhibition of the xanthine oxidase
-
Da Silva S.L., Silva A., Honório K.M., Marangoni S., Toyama M.H., and Da Silva A.B.F. The influence of electronic, steric and hydrophobic properties of flavonoid compounds in the inhibition of the xanthine oxidase. J. Mol. Struct (Theochem.) 684 (2004) 1-7
-
(2004)
J. Mol. Struct (Theochem.)
, vol.684
, pp. 1-7
-
-
Da Silva, S.L.1
Silva, A.2
Honório, K.M.3
Marangoni, S.4
Toyama, M.H.5
Da Silva, A.B.F.6
-
12
-
-
57949102171
-
-
2 by polyhydroxy phenolic compounds. Eur. J. Med. Chem., in press, doi:10.1016/j.ejmech.2008.02.043.
-
2 by polyhydroxy phenolic compounds. Eur. J. Med. Chem., in press, doi:10.1016/j.ejmech.2008.02.043.
-
-
-
-
14
-
-
44949096569
-
-
Dragon Molecular Descriptors Analysis for Windows, version 5.0, Talete srl, Milano, Italy.
-
Dragon Molecular Descriptors Analysis for Windows, version 5.0, Talete srl, Milano, Italy.
-
-
-
-
15
-
-
0034679647
-
Michael adducts of ascorbic acid as inhibitors of protein phosphatase 2A and inducers of apoptosis
-
Fathi A.R., Krautheim A., Kaap S., Eger K., and Steinfelder H.J. Michael adducts of ascorbic acid as inhibitors of protein phosphatase 2A and inducers of apoptosis. Bioorg. Med. Chem. Lett. 10 (2000) 1605-1608
-
(2000)
Bioorg. Med. Chem. Lett.
, vol.10
, pp. 1605-1608
-
-
Fathi, A.R.1
Krautheim, A.2
Kaap, S.3
Eger, K.4
Steinfelder, H.J.5
-
16
-
-
0027996443
-
Synthesis and structural properties of the benzopentathiepins varacin and isolissoclinotoxin A
-
Ford P.W., Narbut M.R., Belli J., and Davidson B.S. Synthesis and structural properties of the benzopentathiepins varacin and isolissoclinotoxin A. J. Org. Chem. 59 (1994) 5955-5960
-
(1994)
J. Org. Chem.
, vol.59
, pp. 5955-5960
-
-
Ford, P.W.1
Narbut, M.R.2
Belli, J.3
Davidson, B.S.4
-
17
-
-
0035976575
-
Prostaglandins and leukotrienes: advances in eicosanoid biology
-
Funk C.D. Prostaglandins and leukotrienes: advances in eicosanoid biology. Science 294 (2001) 1871-1875
-
(2001)
Science
, vol.294
, pp. 1871-1875
-
-
Funk, C.D.1
-
18
-
-
44949179561
-
-
Gaussian03 Software-Gaussian Inc., 340 Quinnipiac Street, Bldg 40 Wallingford, CT, USA.
-
Gaussian03 Software-Gaussian Inc., 340 Quinnipiac Street, Bldg 40 Wallingford, CT, USA.
-
-
-
-
20
-
-
0036597873
-
Comprendiendo los venenos de serpientes: 50 Años de investigaciones en América Latina
-
Gutiérrez J.M. Comprendiendo los venenos de serpientes: 50 Años de investigaciones en América Latina. Rev. Biol. Trop. 50 (2002) 377-394
-
(2002)
Rev. Biol. Trop.
, vol.50
, pp. 377-394
-
-
Gutiérrez, J.M.1
-
21
-
-
33748545144
-
The influence of polarization functions on molecular orbital hydrogenation energies
-
Hariharan P.C., and Pople J.A. The influence of polarization functions on molecular orbital hydrogenation energies. Theor. Chim. Acta 28 (1973) 213
-
(1973)
Theor. Chim. Acta
, vol.28
, pp. 213
-
-
Hariharan, P.C.1
Pople, J.A.2
-
22
-
-
44949169688
-
-
HyperChem, Release 7.51 for Windows-Molecular Modeling System, Hypercube, USA.
-
HyperChem, Release 7.51 for Windows-Molecular Modeling System, Hypercube, USA.
-
-
-
-
23
-
-
0032821284
-
Psoriasis and the arachidonic acid cascade
-
Ikai K. Psoriasis and the arachidonic acid cascade. J. Dermatol. Sci. 21 (2001) 135-146
-
(2001)
J. Dermatol. Sci.
, vol.21
, pp. 135-146
-
-
Ikai, K.1
-
25
-
-
0037441383
-
Structure-activity analysis of the pro-apoptotic, antitumor effect of nitrostyrene adducts and related compounds
-
Kaap S., Quentin I., Tamiru D., Shaheen M., Eger K., and Steinfelder H.J. Structure-activity analysis of the pro-apoptotic, antitumor effect of nitrostyrene adducts and related compounds. Biochem. Pharmacol. 65 (2003) 603-610
-
(2003)
Biochem. Pharmacol.
, vol.65
, pp. 603-610
-
-
Kaap, S.1
Quentin, I.2
Tamiru, D.3
Shaheen, M.4
Eger, K.5
Steinfelder, H.J.6
-
27
-
-
0030218597
-
Density functional theory of electronic structure
-
Kohn W., Becke A.D., and Parr R.G. Density functional theory of electronic structure. J. Phys. Chem. 10 (1996) 12974-12980
-
(1996)
J. Phys. Chem.
, vol.10
, pp. 12974-12980
-
-
Kohn, W.1
Becke, A.D.2
Parr, R.G.3
-
28
-
-
34548732515
-
2 by flavonoids: rationale for lead design
-
2 by flavonoids: rationale for lead design. J. Comp. Aid. Mol. Des. 21 (2007) 473-483
-
(2007)
J. Comp. Aid. Mol. Des.
, vol.21
, pp. 473-483
-
-
Lättig, J.1
Böhl, M.2
Fischer, P.3
Tischer, S.4
Tietböhl, C.5
Menschikowski, M.6
Gutzeit, H.O.7
Metz, P.8
Pisabarro, T.9
-
30
-
-
33646586397
-
β-Nitrostyrene derivatives as potential antibacterial agents: a structure-property-activity relationship study
-
Milharez N., Calheiros R., Marques M.P.M., Garrido J., Cordeiro M.N.D.S., Rodrigues C., Quintera S., Novais C., Peixe L., and Borges F. β-Nitrostyrene derivatives as potential antibacterial agents: a structure-property-activity relationship study. Bioorg. Med. Chem. 14 (2006) 4078-4088
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 4078-4088
-
-
Milharez, N.1
Calheiros, R.2
Marques, M.P.M.3
Garrido, J.4
Cordeiro, M.N.D.S.5
Rodrigues, C.6
Quintera, S.7
Novais, C.8
Peixe, L.9
Borges, F.10
-
31
-
-
33846355966
-
Conjugated addition of bis(oxazolinyl)zinc to substituted 2-nitrovinyl benzenes: an alternative synthesis of (±)-Rolipram
-
Oliveira A.R.M., Villar J.A.F.P., Simonelli F., Gariani R.A., Wosch C.L., and Zarbin P.H.G. Conjugated addition of bis(oxazolinyl)zinc to substituted 2-nitrovinyl benzenes: an alternative synthesis of (±)-Rolipram. Tetrahedron Lett. 48 (2007) 1507-1509
-
(2007)
Tetrahedron Lett.
, vol.48
, pp. 1507-1509
-
-
Oliveira, A.R.M.1
Villar, J.A.F.P.2
Simonelli, F.3
Gariani, R.A.4
Wosch, C.L.5
Zarbin, P.H.G.6
-
32
-
-
9744283378
-
Trans-β-nitrostyrene derivatives as slow-binding inhibitors of protein tyrosine phosphatases
-
Park J., and Pei D. Trans-β-nitrostyrene derivatives as slow-binding inhibitors of protein tyrosine phosphatases. Biochemistry 43 (2004) 15014-15021
-
(2004)
Biochemistry
, vol.43
, pp. 15014-15021
-
-
Park, J.1
Pei, D.2
-
33
-
-
0347291894
-
Absolute hardness: companion parameter to absolute electronegativity
-
Parr R.G., and Pearson R.G. Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc. 105 (1983) 7512-7516
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7512-7516
-
-
Parr, R.G.1
Pearson, R.G.2
-
36
-
-
44949142267
-
-
Pirouette Multivariate Data Analysis for IBM PC Systems, Version 2.0, Infometrix, Seattle, WA.
-
Pirouette Multivariate Data Analysis for IBM PC Systems, Version 2.0, Infometrix, Seattle, WA.
-
-
-
-
37
-
-
0011083273
-
Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors
-
Scott P., and Radom L. Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors. J. Phys. Chem. 100 (1996) 16502
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502
-
-
Scott, P.1
Radom, L.2
-
38
-
-
0030615005
-
2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99
-
2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99. Biochemistry 36 (1997) 3104-3114
-
(1997)
Biochemistry
, vol.36
, pp. 3104-3114
-
-
Sekar, K.1
Eswaramoorthy, S.2
Jain, M.K.3
Sundaralingam, M.4
-
41
-
-
7544222355
-
Harmonic vibrational frequencies: scaling factors for HF, B3LYP, and MP2 methods in combination with correlation consistent basis sets
-
Sinha P., Boesch S.E., Gu C., Wheeler R.A., and Wilson A.K. Harmonic vibrational frequencies: scaling factors for HF, B3LYP, and MP2 methods in combination with correlation consistent basis sets. J. Phys. Chem. A 108 (2004) 9213-9217
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 9213-9217
-
-
Sinha, P.1
Boesch, S.E.2
Gu, C.3
Wheeler, R.A.4
Wilson, A.K.5
-
42
-
-
1042287118
-
2 from snake venoms: effects on catalytic and pharmacological properties
-
2 from snake venoms: effects on catalytic and pharmacological properties. Toxicon 42 (2003) 855-868
-
(2003)
Toxicon
, vol.42
, pp. 855-868
-
-
Soares, A.M.1
Giglio, J.R.2
-
43
-
-
17544396288
-
2 homologue from Bothrops moojeni (Caissaca) snake venom
-
2 homologue from Bothrops moojeni (Caissaca) snake venom. Arch. Biochem. Biophys. 373 (2000) 7-15
-
(2000)
Arch. Biochem. Biophys.
, vol.373
, pp. 7-15
-
-
Soares, A.M.1
Andrião-Escarso, S.H.2
Angulo, Y.3
Lomonte, B.4
Gutiérrez, J.M.5
Marangoni, S.6
Toyama, M.H.7
Arni, R.K.8
Giglio, J.R.9
-
44
-
-
38149047630
-
2 inhibitors from endophytic fungus Trichoderma koningii
-
2 inhibitors from endophytic fungus Trichoderma koningii. Toxicon 51 (2008) 240-250
-
(2008)
Toxicon
, vol.51
, pp. 240-250
-
-
Souza, A.D.L.1
Rodrigues-Filho, E.2
Souza, A.Q.L.3
Pereira, J.O.4
Calgarotto, A.K.5
Maso, V.6
Marangoni, S.7
Da Silva, S.L.8
-
45
-
-
1042298831
-
Pharmacological characterization of mouse hind paw oedema induced by Bothrops insularis (Jararaca ilhoa) snake venom
-
Teixeira C.F.P., Landucci E.C.T., Antunes E., Chacur M., and Cury Y. Pharmacological characterization of mouse hind paw oedema induced by Bothrops insularis (Jararaca ilhoa) snake venom. Toxicon 42 (2003) 947-962
-
(2003)
Toxicon
, vol.42
, pp. 947-962
-
-
Teixeira, C.F.P.1
Landucci, E.C.T.2
Antunes, E.3
Chacur, M.4
Cury, Y.5
-
46
-
-
22744450385
-
2 inhibitor from Cordia verbenacea (Boraginaceae): antiserum action potentiation and molecular interaction
-
2 inhibitor from Cordia verbenacea (Boraginaceae): antiserum action potentiation and molecular interaction. Toxicon 46 (2005) 318-327
-
(2005)
Toxicon
, vol.46
, pp. 318-327
-
-
Ticli, F.K.1
Hage, L.I.S.2
Cambraia, R.S.3
Pereira, P.S.4
Magro, A.J.5
Fontes, M.R.M.6
Stábeli, R.G.7
Giglio, J.R.8
França, S.C.9
Soares, A.M.10
Sampaio, S.V.11
-
47
-
-
0003905534
-
-
Longman Scientific and Technical
-
Vogel A.I. Vogel's Textbook of Practical Organic Chemistry (rev. by Furniss, B.S., Hannaford, A.J., Smith, P.W.G., Tatchell, A.R.). 5th ed (1989), Longman Scientific and Technical
-
(1989)
Vogel's Textbook of Practical Organic Chemistry (rev. by Furniss, B.S., Hannaford, A.J., Smith, P.W.G., Tatchell, A.R.). 5th ed
-
-
Vogel, A.I.1
-
48
-
-
20844447289
-
Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds
-
Weber K.C., Da Silva S.L., Honório K.M., and Da Silva A.B.F. Selection of quantum chemical descriptors by chemometric methods in the study of antioxidant activity of flavonoid compounds. Int. J. Quantum Chem. 103 (2005) 731-737
-
(2005)
Int. J. Quantum Chem.
, vol.103
, pp. 731-737
-
-
Weber, K.C.1
Da Silva, S.L.2
Honório, K.M.3
Da Silva, A.B.F.4
|