SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 397, Issue 1-3, 1997, Pages 59-77

Molecular electrostatic potential in differential inhibition of prostaglandin endoperoxide synthase (cyclooxygenase) by non-steroidal antiinflammatory drugs

(3) Lozano, J J b Pouplana, R a Ruiz, J a

a UNIVERSITY OF BARCELONA (Spain)

b INST MUNIC D INVESTIGACIO MEDICA (Spain)

Author keywords

Molecular electrostatic potential (MEP); Molecular similarity; NSAID; Prostaglandin endoperoxide synthase (PGHS)

Indexed keywords

EID: 0002725878 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(96)04983-4 Document Type: Article

Times cited : (6)

References (44)

1
- 0025777668
- C.W. Taylor (Ed.), Pergamon Press, London
- W.L. Smith, L.J. Marnett, D.L. DeWitt, in: C.W. Taylor (Ed.), Pharmac. Ther. Vol. 49, Pergamon Press, London, 1991, pp. 153-179.
- (1991) Pharmac. Ther. , vol.49 , pp. 153-179
- Smith, W.L.¹ Marnett, L.J.² DeWitt, D.L.³

2
- 0028339780
- M. Lecomte, O. Laneuville, Chuan Ji, D.L. DeWitt, W.L. DeWitt, J. Biol. Chem. 269 (1994) 13 207-13 215.
- (1994) J. Biol. Chem. , vol.269 , pp. 13207-13215
- Lecomte, M.¹ Laneuville, O.² Chuan, J.³ DeWitt, D.L.⁴ DeWitt, W.L.⁵

3
- 0028810964
- R.J. Kulmacz, Lee - Ho Wang, J. Biol. Chem. 270 (1995) 24 019-24 023.
- (1995) J. Biol. Chem. , vol.270 , pp. 24019-24023
- Kulmacz, R.J.¹ Wang, L.-.H.²

4
- 0027992733
- J. Barnett, J. Chow, D. Ives, M. Chiou, R. Mackenzie, E. Osen, B. Nguyen, S. Tsing, C. Bach, J. Freire, H. Chan, E. Sigal, C. Ramesha, Biochim. Biophys. Acta 1209 (1994) 130-139.
- (1994) Biochim. Biophys. Acta , vol.1209 , pp. 130-139
- Barnett, J.¹ Chow, J.² Ives, D.³ Chiou, M.⁴ Mackenzie, R.⁵ Osen, E.⁶ Nguyen, B.⁷ Tsing, S.⁸ Bach, C.⁹ Freire, J.¹⁰ Chan, H.¹¹ Sigal, E.¹² Ramesha, C.¹³

5
- 0027146692
- J.A. Mitchell, P. Akarasereenont, C. Thiemermann, R.J. Flower, J.R. Vane, Proc. Natl. Acad. Sci. USA 90 (1994) 11 693-11 697.
- (1994) Proc. Natl. Acad. Sci. USA , vol.90 , pp. 11693-11697
- Mitchell, J.A.¹ Akarasereenont, P.² Thiemermann, C.³ Flower, R.J.⁴ Vane, J.R.⁵

6
- 0027480087
- E.A. Meade, W.L. Smith, D.L. DeWitt, J. Biol. Chem. 268 (1993) 6610-6614.
- (1993) J. Biol. Chem. , vol.268 , pp. 6610-6614
- Meade, E.A.¹ Smith, W.L.² DeWitt, D.L.³

7
- 0027993949
- L.C. Hsi, C.W. Hoganson, G.I. Babcock, W.L. Smith, Biochem. Biophys. Res. Commun. 202 (1994) 1592-8.
- (1994) Biochem. Biophys. Res. Commun. , vol.202 , pp. 1592-1598
- Hsi, L.C.¹ Hoganson, C.W.² Babcock, G.I.³ Smith, W.L.⁴

8
- 0000151210
- L.H. Rome and W.E.M. Lands, Proc. Nat. Acad. Sci. USA. 72 (1995) 4863-4865.
- (1995) Proc. Nat. Acad. Sci. USA. , vol.72 , pp. 4863-4865
- Rome, L.H.¹ Lands, W.E.M.²

9
- 0016785451
- E.C. Ku and J.M. Wasvary, Biochim. Biophys. Acta 384 (1975) 360-368.
- (1975) Biochim. Biophys. Acta , vol.384 , pp. 360-368
- Ku, E.C.¹ Wasvary, J.M.²

10
- 0028012449
- W.L. Smith, D.L. DeWitt, Curr. Opin. Invest. Drugs 3(1) (1994) 1-11.
- (1994) Curr. Opin. Invest. Drugs , vol.3 , Issue.1 , pp. 1-11
- Smith, W.L.¹ DeWitt, D.L.²

11
- 0025888268
- R.J. Kulmacz, G. Palmer, Ah-Lim Tsai, Mol. Pharmacol. 40 (1991) 833-837.
- (1991) Mol. Pharmacol. , vol.40 , pp. 833-837
- Kulmacz, R.J.¹ Palmer, G.² Tsai, A.-L.³

12
- 0026738949
- A.-L. Tsai, G. Palmer, R.J. Kulmacz, J. Biol. Chem. 267 (1992) 17 753-17 759.
- (1992) J. Biol. Chem. , vol.267 , pp. 17753-17759
- Tsai, A.-L.¹ Palmer, G.² Kulmacz, R.J.³

13
- 0017360215
- N. Stanford, G.J. Roth, T.Y. Shen, P.W. Majerus, Prostaglandins 13 (1977) 669-675.
- (1977) Prostaglandins , vol.13 , pp. 669-675
- Stanford, N.¹ Roth, G.J.² Shen, T.Y.³ Majerus, P.W.⁴

14
- 0022382640
- R.J. Kulmacz R.J., W.E.M. Lands, J. Biol. Chem. 260 (1985) 12 572-12 578.
- (1985) J. Biol. Chem. , vol.260 , pp. 12572-12578
- Kulmacz, R.J.¹ Lands, W.E.M.²

15
- 0039021548
- J.F. McConnell, F.Z. Company, Cryst. Struct. Comm. 5 (1976) 861-864.
- (1976) F.Z. Company, Cryst. Struct. Comm. , vol.5 , pp. 861-864
- McConnell, J.F.¹

16
- 0039613810
- J.F. McConnell, Cryst. Struct. Comm. 3 (1973) 459-461.
- (1973) Cryst. Struct. Comm. , vol.3 , pp. 459-461
- McConnell, J.F.¹

17
- 0001320308
- V. Dhanaraj, M. Vijayan, Acta Cryst. B44 (1988) 406-412.
- (1988) Acta Cryst. , vol.B44 , pp. 406-412
- Dhanaraj, V.¹ Vijayan, M.²

18
- 0001366071
- A.A. Freer, Acta Cryst. C49 (1993) 1378-1380.
- (1993) Acta Cryst. , vol.C49 , pp. 1378-1380
- Freer, A.A.¹

19
- 0015520402
- T.J. Kistenmacher, R.E. Marsh, J. Am. Chem. Soc. 94(4) (1972) 1340-1345.
- (1972) J. Am. Chem. Soc. , vol.94 , Issue.4 , pp. 1340-1345
- Kistenmacher, T.J.¹ Marsh, R.E.²

20
- 0015412880
- E.T. Stiller, P.A. Diassi, D. Gerschutz, D. Meikle, J. Moetz, P.A. Principe, S.D. Levine, J. Med. Chem. 15 (1972) 1029-32.
- (1972) J. Med. Chem. , vol.15 , pp. 1029-1032
- Stiller, E.T.¹ Diassi, P.A.² Gerschutz, D.³ Meikle, D.⁴ Moetz, J.⁵ Principe, P.A.⁶ Levine, S.D.⁷

21
- 85041934256
- T.W. Mischler, L.J. Brannick, J. Clin. Pharmacol. 15 (1975) 562.
- (1975) J. Clin. Pharmacol. , vol.15 , pp. 562
- Mischler, T.W.¹ Brannick, L.J.²

22
- 0039021549
- BIOSYM Technologies, Inc. 9685 Scranton Road, San Diego, CA 92121
- BIOSYM Technologies, Inc. 9685 Scranton Road, San Diego, CA 92121.

23
- 24844459476
- F. Sanz, J. Giraldo, F,. Manaut (Eds.), Prous Science Publishers. Barcelona
- A. Pérez, E. Norberto, M.J. Gómara, R. Pouplana, O. Valls, in: F. Sanz, J. Giraldo, F,. Manaut (Eds.), QSAR and Molecular Modelling: Concepts, Computational Tols and Biological Applications, Prous Science Publishers. Barcelona, 1995, pp. 348-350.
- (1995) QSAR and Molecular Modelling: Concepts, Computational Tols and Biological Applications , pp. 348-350
- Pérez, A.¹ Norberto, E.² Gómara, M.J.³ Pouplana, R.⁴ Valls, O.⁵

24
- 0015442803
- P.F. Juby, W.R. Goodwin, T.W. Hudyma, R.A. Partyka, J. Med. Chem. 15 (1972) 1297-1306.
- (1972) J. Med. Chem. , vol.15 , pp. 1297-1306
- Juby, P.F.¹ Goodwin, W.R.² Hudyma, T.W.³ Partyka, R.A.⁴

25
- 84986435866
- F.J. Luque, F. Illas, M., Orozco, J. Comp. Chem., 11 (1990) 416-430.
- (1990) J. Comp. Chem. , vol.11 , pp. 416-430
- Luque, F.J.¹ Illas, F.² Orozco, M.³

26
- 84988098098
- L.E. Chirlian, M. Miller Francl, J. Comp. Chem. 8 (1987) 894-905.
- (1987) J. Comp. Chem. , vol.8 , pp. 894-905
- Chirlian, L.E.¹ Francl, M.M.²

27
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- M.J. Frisch, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M.A. Robb, J.S. Binkley, C. Gonzalez, D.J. Defrees, D.J. Fox, R.A. Whiteside, R. Seeger, C.F. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol, J.A. Pople, GAUSSIAN 92, Gaussian Inc., Pittsburgh, PA, 1992.
- (1992) GAUSSIAN 92
- Frisch, M.J.¹ Head-Gordon, M.² Trucks, G.W.³ Foresman, J.B.⁴ Schlegel, H.B.⁵ Raghavachari, K.⁶ Robb, M.A.⁷ Binkley, J.S.⁸ Gonzalez, C.⁹ Defrees, D.J.¹⁰ Fox, D.J.¹¹ Whiteside, R.A.¹² Seeger, R.¹³ Melius, C.F.¹⁴ Baker, J.¹⁵ Martin, R.L.¹⁶ Kahn, L.R.¹⁷ Stewart, J.J.P.¹⁸ Topiol, S.¹⁹ Pople, J.A.²⁰ more..

28
- 0842341771
- M.J.S. Dewar, E.F. Zoebisch, E.F. Haely, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902-3909.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902-3909
- Dewar, M.J.S.¹ Zoebisch, E.F.² Haely, E.F.³ Stewart, J.J.P.⁴

29
- 84986513567
- C.M. Breneman, K.B. Wiberg, J. Comp. Chem. 11 (1990) 361-373.
- (1990) J. Comp. Chem. , vol.11 , pp. 361-373
- Breneman, C.M.¹ Wiberg, K.B.²

30
- 84986492477
- B.H. Besler, K.M. Merz, P.A. Kollman, J. Comp. Chem. 11 (1990) 431-439.
- (1990) J. Comp. Chem. , vol.11 , pp. 431-439
- Besler, B.H.¹ Merz, K.M.² Kollman, P.A.³

31
- 0013128555
- F. Sanz, F. Manaut, J.J. Segura, M. Carbó, R. De la Torre, J. Mol. Struct. (Theochem) 170 (1988) 171-180.
- (1988) J. Mol. Struct. (Theochem) , vol.170 , pp. 171-180
- Sanz, F.¹ Manaut, F.² Segura, J.J.³ Carbó, M.⁴ De La Torre, R.⁵

32
- 33748545144
- P.C. Hariharan, J.A. Pople, Theoret. Chim. Acta (Berl.) 28 (1973) 213-222.
- (1973) Theoret. Chim. Acta (Berl.) , vol.28 , pp. 213-222
- Hariharan, P.C.¹ Pople, J.A.²

33
- 2442617487
- J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc. 102 (1980) 939-947.
- (1980) J. Am. Chem. Soc. , vol.102 , pp. 939-947
- Binkley, J.S.¹ Pople, J.A.² Hehre, W.J.³

34
- 84986450629
- G.G. Ferenczy, C.A. Reynolds, W.G. Richards, J. Comp. Chem. 11 (1990) 159-169.
- (1990) J. Comp. Chem. , vol.11 , pp. 159-169
- Ferenczy, G.G.¹ Reynolds, C.A.² Richards, W.G.³

35
- 0000800091
- J.J. Lozano, R. Pouplana, M. López, J. Ruiz, J. Mol. Struct. (Theochem) 335 (1995) 215-227.
- (1995) J. Mol. Struct. (Theochem) , vol.335 , pp. 215-227
- Lozano, J.J.¹ Pouplana, R.² López, M.³ Ruiz, J.⁴

36
- 84986435969
- L. Bonati, U. Cosentino, E. Fraschini, G. Moro, D. Pitea, J. Comp. Chem. 13 (1992) 842-850.
- (1992) J. Comp. Chem. , vol.13 , pp. 842-850
- Bonati, L.¹ Cosentino, U.² Fraschini, E.³ Moro, G.⁴ Pitea, D.⁵

37
- 0003321937
- C.G. Wermuth (Ed.), ESCOM, Leiden
- J.J. Lozano, M. López, J. Ruiz, I.J. Vazquez, R. Pouplana, in: C.G. Wermuth (Ed.), Trends in QSAR and Molecular Modelling '92, ESCOM, Leiden, 1993, pp.560-562.
- (1993) Trends in QSAR and Molecular Modelling '92 , pp. 560-562
- Lozano, J.J.¹ López, M.² Ruiz, J.³ Vazquez, I.J.⁴ Pouplana, R.⁵

38
- 84986439193
- F.J. Luque, M., Orozco, J. Comp. Chem. 11 (1990) 909-923.
- (1990) J. Comp. Chem. , vol.11 , pp. 909-923
- Luque, F.J.¹ Orozco, M.²

39
- 0028009093
- D. Picot, P.J. Loll, M. Garavito, Nature 367 (1994) 243-249.
- (1994) Nature , vol.367 , pp. 243-249
- Picot, D.¹ Loll, P.J.² Garavito, M.³

40
- 0027581690
- J. Ruiz, M. López, J. Milà, E. Lozoya, J.J. Lozano, R. Pouplana, J. Comput.-Aided Mol. Design 7 (1993) 183-198.
- (1993) J. Comput.-Aided Mol. Design , vol.7 , pp. 183-198
- Ruiz, J.¹ López, M.² Milà, J.³ Lozoya, E.⁴ Lozano, J.J.⁵ Pouplana, R.⁶

41
- 0347197614
- C. Silippo, A. Vittoria (Eds.), Elsevier, Amsterdam
- M. López, E. Lozoya, J. Ruiz, J. Milà, R. Pouplana, in: C. Silippo, A. Vittoria (Eds.), QSAR: Rational Approaches to the Design of Bioactive Compounds, Elsevier, Amsterdam, 1991, pp.315-318.
- (1991) QSAR: Rational Approaches to the Design of Bioactive Compounds , pp. 315-318
- López, M.¹ Lozoya, E.² Ruiz, J.³ Milà, J.⁴ Pouplana, R.⁵

42
- 0026734211
- I. Pal, R. Odenwaller, L.J. Marnett, J. Med. Chem. 35 (1992) 2340-2342.
- (1992) J. Med. Chem. , vol.35 , pp. 2340-2342
- Pal, I.¹ Odenwaller, R.² Marnett, L.J.³

43
- 33847087937
- M.J.S. Dewar, W.J. Thiel, J. Am. Chem. Soc. 99 (1977) 4907.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4907
- Dewar, M.J.S.¹ Thiel, W.J.²

44
- 0006479516
- R.D. Nelson, D.R. Lide, A.A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10, 1967.
- Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 , vol.10 , pp. 1967
- Nelson, R.D.¹ Lide, D.R.² Maryott, A.A.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.