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Volumn 26, Issue 3, 2007, Pages 346-351

Neighborhood behavior: Validation of two-dimensional molecular similarity as a predictor of similar biological activities and docking scores

(1) Perekhodtsev, Gleb D a

a Algodign LLC (Russian Federation)

Author keywords

Docking; Molecular similarity; Neighborhood behavior; QSAR; Serine protease; Virtual screening

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; LARGE DATASETS;

BINDING AFFINITIES; DOCKING; DOCKING SCORE; MOLECULAR SIMILARITY; NEIGHBORHOOD BEHAVIOR; NEIGHBOURHOOD; QSAR; SERINE PROTEASE; TWO-DIMENSIONAL; VIRTUAL SCREENING;

AMINO ACIDS;

BLOOD CLOTTING FACTOR 10A INHIBITOR; PLASMINOGEN ACTIVATOR INHIBITOR; THROMBIN INHIBITOR; TRYPSIN INHIBITOR;

ARTICLE; BINDING AFFINITY; BIOLOGICAL ACTIVITY; COMPUTER PROGRAM; DRUG BINDING; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

EID: 34250628102 PISSN: 1611020X EISSN: 16110218 Source Type: Journal
DOI: 10.1002/qsar.200610052 Document Type: Article

Times cited : (6)

References (31)

1
- 30844443282
- A. G. Maldonado, J. P. Doucet, M. Petitjean, B.-T. Fan, Mol. Diversity 2006, 10, 39-79.
- (2006) Mol. Diversity , vol.10 , pp. 39-79
- Maldonado, A.G.¹ Doucet, J.P.² Petitjean, M.³ Fan, B.-T.⁴

2
- 10344230435
- A. Bender, R. C. Glen, Org. Biomol. Chem. 2004, 2, 3204-3218.
- (2004) Org. Biomol. Chem , vol.2 , pp. 3204-3218
- Bender, A.¹ Glen, R.C.²

3
- 2942640607
- F. Barbosa, D. Horvath, Curr. Top. Med. Chem. 2004, 4, 589-600.
- (2004) Curr. Top. Med. Chem , vol.4 , pp. 589-600
- Barbosa, F.¹ Horvath, D.²

4
- 20844436604
- A. C. Good, M. A. Hermsmeier, S. A. Hindle, J. Comput.- Aided Mol. Des. 2004, 18, 529-536.
- (2004) J. Comput.- Aided Mol. Des , vol.18 , pp. 529-536
- Good, A.C.¹ Hermsmeier, M.A.² Hindle, S.A.³

5
- 20444407684
- H.-J. Roth, Curr. Opin. Chem. Biol. 2005, 9, 293-295.
- (2005) Curr. Opin. Chem. Biol , vol.9 , pp. 293-295
- Roth, H.-J.¹

6
- 1042265247
- N. Nikolova, J. Jaworska, QSAR Comb. Sci. 2003, 22, 1006-1026.
- (2003) QSAR Comb. Sci , vol.22 , pp. 1006-1026
- Nikolova, N.¹ Jaworska, J.²

7
- 18344378974
- E. K. Wilson, Chem. Eng. News 2005, 83, 24-29.
- (2005) Chem. Eng. News , vol.83 , pp. 24-29
- Wilson, E.K.¹

8
- 0029783934
- D. E. Patterson, R. D. Cramer, A. M. Ferguson, R. D. Clark, L. E. Weinberger, J. Med. Chem. 1996, 39, 3049-3059.
- (1996) J. Med. Chem , vol.39 , pp. 3049-3059
- Patterson, D.E.¹ Cramer, R.D.² Ferguson, A.M.³ Clark, R.D.⁴ Weinberger, L.E.⁵

9
- 0035829402
- S. L. Dixon, K. M. Merz, Jr., J. Med. Chem. 2001, 44, 3795-3809.
- (2001) J. Med. Chem , vol.44 , pp. 3795-3809
- Dixon, S.L.¹ Merz Jr., K.M.²

10
- 0030943408
- H. Matter, J. Med. Chem. 1997, 40, 1219-1229.
- (1997) J. Med. Chem , vol.40 , pp. 1219-1229
- Matter, H.¹

11
- 0037365125
- D. Horvath, C. Jeandenans, J. Chem. Inf. Comput. Sci. 2003, 43, 680-690.
- (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 680-690
- Horvath, D.¹ Jeandenans, C.²

12
- 0037361990
- D. Horvath, C. Jeandenans, J. Chem. Inf. Comput. Sci. 2003, 43, 691-698.
- (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 691-698
- Horvath, D.¹ Jeandenans, C.²

13
- 0041670934
- D. Horvath, B. Mao, QSAR Comb. Sci. 2003, 22, 498-509.
- (2003) QSAR Comb. Sci , vol.22 , pp. 498-509
- Horvath, D.¹ Mao, B.²

14
- 0342645323
- R. D. Brown, Y. C. Martin, J. Chem. Inf. Comp. Sci. 1996, 36, 572-584.
- (1996) J. Chem. Inf. Comp. Sci , vol.36 , pp. 572-584
- Brown, R.D.¹ Martin, Y.C.²

15
- 5244364312
- R. D. Brown, Y. C. Martin, J. Chem. Inf. Comp. Sci. 1997, 37, 1-9.
- (1997) J. Chem. Inf. Comp. Sci , vol.37 , pp. 1-9
- Brown, R.D.¹ Martin, Y.C.²

16
- 30744455992
- G. D. Perekhodtsev, Mol. Diversity 2006, 10, 81-83.
- (2006) Mol. Diversity , vol.10 , pp. 81-83
- Perekhodtsev, G.D.¹

17
- 0036678398
- M. A. Ilies, A. Scozzafava, C. T. Supuran, Expert Opin. Ther. Patents 2002, 12, 1181-1214.
- (2002) Expert Opin. Ther. Patents , vol.12 , pp. 1181-1214
- Ilies, M.A.¹ Scozzafava, A.² Supuran, C.T.³

18
- 0015861774
- Y. Cheng, W. H. Prusoff, Biochem. Pharmacol. 1973, 22, 3099-3108.
- (1973) Biochem. Pharmacol , vol.22 , pp. 3099-3108
- Cheng, Y.¹ Prusoff, W.H.²

19
- 0037008160
- H. Gohlke, G. Klebe, Angew. Chem. Int. Ed. 2002, 41, 2644-2676.
- (2002) Angew. Chem. Int. Ed , vol.41 , pp. 2644-2676
- Gohlke, H.¹ Klebe, G.²

20
- 85192672794
- San Diego, CA
- Accelrys Accord, Accelrys, Inc., San Diego, CA, http://www.accelrys.com.
- Accelrys Accord, Accelrys, Inc

21
- 0022620276
- P. Willett, V. Winterman, Quant. Struct.-Act. Relat. 1986, 5, 18-25.
- (1986) Quant. Struct.-Act. Relat , vol.5 , pp. 18-25
- Willett, P.¹ Winterman, V.²

22
- 0347519184
- A. E. Muryshev, D. N. Tarasov, A. V. Butygin, O. Y. Butygina, A. B. Aleksandrov, S. M. Nikitin, J. Comput.-Aided Mol. Des. 2003, 17, 597-605.
- (2003) J. Comput.-Aided Mol. Des , vol.17 , pp. 597-605
- Muryshev, A.E.¹ Tarasov, D.N.² Butygin, A.V.³ Butygina, O.Y.⁴ Aleksandrov, A.B.⁵ Nikitin, S.M.⁶

23
- 20344378493
- S. Nikitin, N. Zaitseva, O. Demina, V. Solovieva, E. Mazin, S. Mikhalev, M. Smolov, A. Rubinov, P. Vlasov, D. Lepikhin, D. Khachko, V. Fokin, C. Queen, V. Zosimov, J. Com put.-Aided Mol. Des. 2005, 19, 47-63.
- (2005) J. Com put.-Aided Mol. Des , vol.19 , pp. 47-63
- Nikitin, S.¹ Zaitseva, N.² Demina, O.³ Solovieva, V.⁴ Mazin, E.⁵ Mikhalev, S.⁶ Smolov, M.⁷ Rubinov, A.⁸ Vlasov, P.⁹ Lepikhin, D.¹⁰ Khachko, D.¹¹ Fokin, V.¹² Queen, C.¹³ Zosimov, V.¹⁴

24
- 0033954256
- H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov, P. E. Bourne, Nucleic Acids Res. 2000, 28, 235-242.
- (2000) Nucleic Acids Res , vol.28 , pp. 235-242
- Berman, H.M.¹ Westbrook, J.² Feng, Z.³ Gilliland, G.⁴ Bhat, T.N.⁵ Weissig, H.⁶ Shindyalov, I.N.⁷ Bourne, P.E.⁸

25
- 28944454140
- J. W. Godden, F. L. Stahura, J. Bajorath, J. Chem. Inf. Model. 2005, 45, 1812-1819.
- (2005) J. Chem. Inf. Model , vol.45 , pp. 1812-1819
- Godden, J.W.¹ Stahura, F.L.² Bajorath, J.³

26
- 0028608164
- L. L. Chang, W. T. Ashton, K. L. Flanagan, T. B. Chen, S. S. O'Malley, G. J. Zingaro, P. K. Siegl, S. D. Kivlighn, V. J. Lotti, R. S. Chang, J. Med. Chem. 1994, 37, 4464-4478.
- (1994) J. Med. Chem , vol.37 , pp. 4464-4478
- Chang, L.L.¹ Ashton, W.T.² Flanagan, K.L.³ Chen, T.B.⁴ O'Malley, S.S.⁵ Zingaro, G.J.⁶ Siegl, P.K.⁷ Kivlighn, S.D.⁸ Lotti, V.J.⁹ Chang, R.S.¹⁰

27
- 0028927269
- J. T. Strupczewski, K. J. Bordeau, Y. Chiang, E. J. Glamkowski, P. G. Conway, R. Corbett, H. B. Hartman, M. R. Szewczak, C. A. Wilmot, G. C. Helsley, J. Med. Chem. 1995, 38, 1119-1131.
- (1995) J. Med. Chem , vol.38 , pp. 1119-1131
- Strupczewski, J.T.¹ Bordeau, K.J.² Chiang, Y.³ Glamkowski, E.J.⁴ Conway, P.G.⁵ Corbett, R.⁶ Hartman, H.B.⁷ Szewczak, M.R.⁸ Wilmot, C.A.⁹ Helsley, G.C.¹⁰

28
- 0016850316
- C. Silipo, C. Hansch, J. Am. Chem. Soc. 1975, 97, 6849-6861.
- (1975) J. Am. Chem. Soc , vol.97 , pp. 6849-6861
- Silipo, C.¹ Hansch, C.²

29
- 0001252512
- R. D. Cramer, D. E. Patterson, R. D. Clark, F. Soltanshahi, M. S. Lawless, J. Chem. Inf. Comp. Sci. 1998, 38, 1010-1023.
- (1998) J. Chem. Inf. Comp. Sci , vol.38 , pp. 1010-1023
- Cramer, R.D.¹ Patterson, D.E.² Clark, R.D.³ Soltanshahi, F.⁴ Lawless, M.S.⁵

30
- 31444441580
- S. Yoon, A. Smellie, D. Hartsough, A. Filikov, J. Comput.- Aided Mol. Des. 2005, 19, 483-497.
- (2005) J. Comput.- Aided Mol. Des , vol.19 , pp. 483-497
- Yoon, S.¹ Smellie, A.² Hartsough, D.³ Filikov, A.⁴

31
- 28544434157
- J. R. Krumrine, A. T. Maynard, C. L. Lerman, J. Med. Chem. 2005, 48, 7477-7481.
- (2005) J. Med. Chem , vol.48 , pp. 7477-7481
- Krumrine, J.R.¹ Maynard, A.T.² Lerman, C.L.³

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