SCOPUS 정보 검색 플랫폼

Biochemistry (Moscow)

Volumn 76, Issue 2, 2011, Pages 175-185

Molecular modeling of human lanosterol 14α-demethylase complexes with substrates and their derivatives

(4) Mukha, D V a Feranchuk, S I b Gilep, A A a Usanov, S A a

a INSTITUTE OF BIOORGANIC CHEMISTRY (Belarus)

b UNITED INSTITUTE OF INFORMATICS PROBLEMS (Belarus)

Author keywords

alanine scanning; CYP51A1; docking; lanosterol 14 demethylase; molecular dynamics; molecular modeling; mutagenesis

Indexed keywords

FUNGI;

EID: 79953854853 PISSN: 00062979 EISSN: 16083040 Source Type: Journal
DOI: 10.1134/S0006297911020039 Document Type: Article

Times cited : (4)

References (34)

1
- 33846387040
- G. I. Lepesheva M. R. Waterman 2007 Biochim. Biophys. Acta 3 467 477
- (2007) Biochim. Biophys. Acta , vol.3 , pp. 467-477
- Lepesheva, G.I.¹ Waterman, M.R.²

2
- 85046500842
- 10.1210/en.139.5.2314
- M. Stromstedt M. R. Waterman T. B. Haugen K. Tasken M. Parvinen D. Rozman 1998 Endocrinology 5 2314 2321 10.1210/en.139.5.2314
- (1998) Endocrinology , vol.5 , pp. 2314-2321
- Stromstedt, M.¹ Waterman, M.R.² Haugen, T.B.³ Tasken, K.⁴ Parvinen, M.⁵ Rozman, D.⁶

3
- 77950023120
- 10.1016/j.jmb.2010.01.075
- N. Strushkevich S. A. Usanov H. W. Park 2010 J. Mol. Biol. 4 1067 1078 10.1016/j.jmb.2010.01.075
- (2010) J. Mol. Biol. , vol.4 , pp. 1067-1078
- Strushkevich, N.¹ Usanov, S.A.² Park, H.W.³

4
- 68949200543
- McKerrow, J. H., Doyle, P. S., Engel, J. C., Podust, L. M., Robertson, S. A., Ferreira, R., Saxton, T., Arkin, M., Kerr, I. D., Brinen, L. S., and Craik, C. S. (2009) Mem. Inst. Oswaldo Cruz, 263-269.
- (2009) Mem. Inst. Oswaldo Cruz , pp. 263-269
- McKerrow, J.H.¹ Doyle, P.S.² Engel, J.C.³ Podust, L.M.⁴ Robertson, S.A.⁵ Ferreira, R.⁶ Saxton, T.⁷ Arkin, M.⁸ Kerr, I.D.⁹ Brinen, L.S.¹⁰ Craik, C.S.¹¹

5
- 77952358375
- 20386598 10.1371/journal.pntd.0000651
- C. K. Chen S. S. Leung C. Guilbert M. P. Jacobson J. H. McKerrow L. M. Podust 2010 PLoS Negl. Trop. Dis. 4 e651 20386598 10.1371/journal.pntd.0000651
- (2010) PLoS Negl. Trop. Dis. , vol.4 , pp. 651
- Chen, C.K.¹ Leung, S.S.² Guilbert, C.³ Jacobson, M.P.⁴ McKerrow, J.H.⁵ Podust, L.M.⁶

6
- 35848939138
- Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography
- DOI 10.1128/AAC.00311-07
- L. M. Podust J. P. von Kries A. N. Eddine Y. Kim L. V. Yermalitskaya R. Kuehne H. Ouellet T. Warrier M. Altekoster J. S. Lee J. Rademann H. Oschkinat S. H. Kaufmann M. R. Waterman 2007 Antimicrob. Agents Chemother. 11 3915 3923 10.1128/AAC.00311-07 (Pubitemid 350057789)
- (2007) Antimicrobial Agents and Chemotherapy , vol.51 , Issue.11 , pp. 3915-3923
- Podust, L.M.¹ Von Kries, J.P.² Eddine, A.N.³ Kim, Y.⁴ Yermalitskaya, L.V.⁵ Kuehne, R.⁶ Ouellet, H.⁷ Warrier, T.⁸ Altekoster, M.⁹ Lee, J.-S.¹⁰ Rademann, J.¹¹ Oschkinat, H.¹² Kaufmann, S.H.E.¹³ Waterman, M.R.¹⁴

7
- 74849104439
- 10.1134/S0006297909130112
- A. A. Terentiev N. T. Moldogazieva K. V. Shaitan 2009 Biochemistry (Moscow) 13 1586 1607 10.1134/S0006297909130112
- (2009) Biochemistry (Moscow) , vol.13 , pp. 1586-1607
- Terentiev, A.A.¹ Moldogazieva, N.T.² Shaitan, K.V.³

8
- 0036836970
- 10.1016/S0968-0896(02)00263-8
- A. Macchiarulo G. Costantino D. Fringuelli A. Vecchiarelli F. Schiaffella R. Fringuelli 2002 Bioorg. Med. Chem. 11 3415 3423 10.1016/S0968-0896(02)00263- 8
- (2002) Bioorg. Med. Chem. , vol.11 , pp. 3415-3423
- MacChiarulo, A.¹ Costantino, G.² Fringuelli, D.³ Vecchiarelli, A.⁴ Schiaffella, F.⁵ Fringuelli, R.⁶

9
- 69249221482
- 10.1002/ps.1770
- G. P. Canas-Gutierrez M. J. Angarita-Velasquez J. M. Restrepo-Florez P. Rodriguez C. X. Moreno R. Arango 2009 Pest. Manag. Sci. 8 892 899 10.1002/ps.1770
- (2009) Pest. Manag. Sci. , vol.8 , pp. 892-899
- Canas-Gutierrez, G.P.¹ Angarita-Velasquez, M.J.² Restrepo-Florez, J.M.³ Rodriguez, P.⁴ Moreno, C.X.⁵ Arango, R.⁶

10
- 67749102047
- 10.1128/AAC.01630-08
- C. Sheng Z. Miao H. Ji J. Yao W. Wang X. Che G. Dong J. Lu W. Guo W. Zhang 2009 Antimicrob. Agents Chemother. 8 3487 3495 10.1128/AAC.01630-08
- (2009) Antimicrob. Agents Chemother. , vol.8 , pp. 3487-3495
- Sheng, C.¹ Miao, Z.² Ji, H.³ Yao, J.⁴ Wang, W.⁵ Che, X.⁶ Dong, G.⁷ Lu, J.⁸ Guo, W.⁹ Zhang, W.¹⁰

11
- 77249168799
- 10.1002/cmdc.200900468
- C. Sheng W. Wang X. Che G. Dong S. Wang H. Ji Z. Miao J. Yao W. Zhang 2010 ChemMedChem 3 390 397 10.1002/cmdc.200900468
- (2010) ChemMedChem , vol.3 , pp. 390-397
- Sheng, C.¹ Wang, W.² Che, X.³ Dong, G.⁴ Wang, S.⁵ Ji, H.⁶ Miao, Z.⁷ Yao, J.⁸ Zhang, W.⁹

12
- 0346784897
- Three-Dimensional Models of Wild-Type and Mutated Forms of Cytochrome P450 14α-Sterol Demethylases from Aspergillus fumigatus and Candida albicans Provide Insights into Posaconazole Binding
- DOI 10.1128/AAC.48.2.568-574.2004
- L. Xiao V. Madison A. S. Chau D. Loebenberg R. E. Palermo P. M. McNicholas 2004 Antimicrob. Agents Chemother. 2 568 574 10.1128/AAC.48.2.568- 574.2004 (Pubitemid 38141718)
- (2004) Antimicrobial Agents and Chemotherapy , vol.48 , Issue.2 , pp. 568-574
- Xiao, L.¹ Madison, V.² Chau, A.S.³ Loebenberg, D.⁴ Palermo, R.E.⁵ McNicholas, P.M.⁶

13
- 0034729667
- A three-dimensional model of lanosterol 14α-demethylase of Candida albicans and its interaction with azole antifungals
- DOI 10.1021/jm990589g
- H. Ji W. Zhang Y. Zhou M. Zhang J. Zhu Y. Song J. Lu 2000 J. Med. Chem. 13 2493 2505 10.1021/jm990589g (Pubitemid 30437131)
- (2000) Journal of Medicinal Chemistry , vol.43 , Issue.13 , pp. 2493-2505
- Ji, H.¹ Zhang, W.² Zhou, Y.³ Zhang, M.⁴ Zhu, J.⁵ Song, Y.⁶ Lu, J.⁷ Zhu, J.⁸

14
- 77649218736
- 10.1021/ci900425t
- Q. Zhang D. Li P. Wei J. Zhang J. Wan Y. Ren Z. Chen D. Liu Z. Yu L. Feng 2010 J. Chem. Inf. Model 2 317 325 10.1021/ci900425t
- (2010) J. Chem. Inf. Model , vol.2 , pp. 317-325
- Zhang, Q.¹ Li, D.² Wei, P.³ Zhang, J.⁴ Wan, J.⁵ Ren, Y.⁶ Chen, Z.⁷ Liu, D.⁸ Yu, Z.⁹ Feng, L.¹⁰

15
- 33645639221
- G. I. Lepesheva N. G. Zaitseva W. D. Nes W. Zhou M. Arase J. Liu G. C. Hill M. R. Waterman 2006 J. Biol. Chem. 6 3577 3585
- (2006) J. Biol. Chem. , vol.6 , pp. 3577-3585
- Lepesheva, G.I.¹ Zaitseva, N.G.² Nes, W.D.³ Zhou, W.⁴ Arase, M.⁵ Liu, J.⁶ Hill, G.C.⁷ Waterman, M.R.⁸

16
- 0029133537
- 10.1021/bi00030a003
- J. M. Trzaskos S. S. Ko R. L. Magolda M. F. Favata R. T. Fischer S. H. Stam P. R. Johnson J. L. Gaylor 1995 Biochemistry 30 9670 9676 10.1021/bi00030a003
- (1995) Biochemistry , vol.30 , pp. 9670-9676
- Trzaskos, J.M.¹ Ko, S.S.² Magolda, R.L.³ Favata, M.F.⁴ Fischer, R.T.⁵ Stam, S.H.⁶ Johnson, P.R.⁷ Gaylor, J.L.⁸

17
- 0001041959
- 10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P
- A. Jakalian B. L. Bush D. B. Jack C. I. Bayly 2000 J. Comput. Chem. 2 132 146 10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P
- (2000) J. Comput. Chem. , vol.2 , pp. 132-146
- Jakalian, A.¹ Bush, B.L.² Jack, D.B.³ Bayly, C.I.⁴

18
- 0036890178
- Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation
- DOI 10.1002/jcc.10128
- A. Jakalian D. B. Jack C. I. Bayly 2002 J. Comput. Chem. 16 1623 1641 10.1002/jcc.10128 (Pubitemid 35330860)
- (2002) Journal of Computational Chemistry , vol.23 , Issue.16 , pp. 1623-1641
- Jakalian, A.¹ Jack, D.B.² Bayly, C.I.³

19
- 19644374377
- New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models
- DOI 10.1002/jcc.20221
- A. Oda N. Yamaotsu S. Hirono 2005 J. Comput. Chem. 8 818 826 10.1002/jcc.20221 (Pubitemid 40751576)
- (2005) Journal of Computational Chemistry , vol.26 , Issue.8 , pp. 818-826
- Oda, A.¹ Yamaotsu, N.² Hirono, S.³

20
- 0031788539
- T. E. Cheatham III J. Srinivasan D. A. Case P. A. Kollman 1998 J. Biomol. Struct. Dyn. 2 265 280
- (1998) J. Biomol. Struct. Dyn. , vol.2 , pp. 265-280
- Cheatham Iii, T.E.¹ Srinivasan, J.² Case, D.A.³ Kollman, P.A.⁴

21
- 58049201323
- University of California San Francisco
- Case, D. A., Darden, T. A., Cheatham, III, T. E., Simmerling, C. L., Wang, J., Duke, R. E., Luo, R., Crowley, M., Walker, R. C., Zhang, W., Merz, K. M., Wang, B., Hayik, S., Roitberg, A., Seabra, G., Kolossvary, I., Wong, K. F., Paesani, F., Vanicek, J., Wu, X., Brozell, S. R., Steinbrecher, T., Gohlke, H., Yang, L., Tan, C., Mongan, J., Hornak, V., Cui, G., Mathews, D. H., Seetin, M. G., Sagui, C., Babin, V., and Kollman, P. A. (2008) AMBER 10, University of California, San Francisco.
- (2008) AMBER 10
- 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 Crowley, M.⁸ Walker, R.C.⁹ Zhang, W.¹⁰ Merz, K.M.¹¹ Wang, B.¹² Hayik, S.¹³ Roitberg, A.¹⁴ Seabra, G.¹⁵ Kolossvary, I.¹⁶ Wong, K.F.¹⁷ Paesani, F.¹⁸ Vanicek, J.¹⁹ Wu, X.²⁰ more..

22
- 0034521981
- Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
- DOI 10.1021/ar000033j
- P. A. Kollman I. Massova C. Reyes B. Kuhn S. Huo L. Chong M. Lee T. Lee Y. Duan W. Wang O. Donini P. Cieplak J. Srinivasan D. A. Case T. E. Cheatham 3rd 2000 Acc. Chem. Res. 12 889 897 10.1021/ar000033j (Pubitemid 32056774)
- (2000) Accounts of Chemical Research , vol.33 , Issue.12 , pp. 889-897
- Kollman, P.A.¹ Massova, I.² Reyes, C.³ Kuhn, B.⁴ Huo, S.⁵ Chong, L.⁶ Lee, M.⁷ Lee, T.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹

23
- 77954518280
- Edgar, R. C. (2004) BMC Bioinformatics, 113.
- (2004) BMC Bioinformatics , pp. 113
- Edgar, R.C.¹

24
- 3042666256
- MUSCLE: Multiple sequence alignment with high accuracy and high throughput
- DOI 10.1093/nar/gkh340
- R. C. Edgar 2004 Nucleic Acids Res. 5 1792 1797 10.1093/nar/gkh340 (Pubitemid 38832724)
- (2004) Nucleic Acids Research , vol.32 , Issue.5 , pp. 1792-1797
- Edgar, R.C.¹

25
- 0023645035
- 10.1016/0022-2836(87)90190-2
- T. L. Poulos B. C. Finzel A. J. Howard 1987 J. Mol. Biol. 3 687 700 10.1016/0022-2836(87)90190-2
- (1987) J. Mol. Biol. , vol.3 , pp. 687-700
- Poulos, T.L.¹ Finzel, B.C.² Howard, A.J.³

26
- 0030339738
- R. A. Laskowski J. A. Rullmannn M. W. MacArthur R. Kaptein J. M. Thornton 1996 J. Biomol. NMR 4 477 486
- (1996) J. Biomol. NMR , vol.4 , pp. 477-486
- Laskowski, R.A.¹ Rullmannn, J.A.² MacArthur, M.W.³ Kaptein, R.⁴ Thornton, J.M.⁵

27
- 0000243829
- 10.1107/S0021889892009944
- R. A. Laskowski M. W. MacArthur D. S. Moss J. M. Thornton 1993 J. Appl. Crystallogr. 2 283 291 10.1107/S0021889892009944
- (1993) J. Appl. Crystallogr. , vol.2 , pp. 283-291
- Laskowski, R.A.¹ MacArthur, M.W.² Moss, D.S.³ Thornton, J.M.⁴

28
- 7944237907
- Estriol bound and ligand-free structures of sterol 14α-demethylase
- DOI 10.1016/j.str.2004.08.009, PII S0969212604003363
- L. M. Podust L. V. Yermalitskaya G. I. Lepesheva V. N. Podust E. A. Dalmasso M. R. Waterman 2004 Structure 11 1937 1945 10.1016/j.str.2004.08.009 (Pubitemid 39469391)
- (2004) Structure , vol.12 , Issue.11 , pp. 1937-1945
- Podust, L.M.¹ Yermalitskaya, L.V.² Lepesheva, G.I.³ Podust, V.N.⁴ Dalmasso, E.A.⁵ Waterman, M.R.⁶

29
- 77749291956
- 10.1016/j.diagmicrobio.2009.11.006
- F. Morio C. Loge B. Besse C. Hennequin P. le Pape 2010 Diagn. Microbiol. Infect. Dis. 4 373 384 10.1016/j.diagmicrobio.2009.11.006
- (2010) Diagn. Microbiol. Infect. Dis. , vol.4 , pp. 373-384
- Morio, F.¹ Loge, C.² Besse, B.³ Hennequin, C.⁴ Le Pape, P.⁵

30
- 34447135474
- Identification of Y118 amino acid residue in Candida albicans sterol 14α-demethylase associated with the enzyme activity and selective antifungal activity of azole analogues
- DOI 10.1248/bpb.30.1246
- S. H. Chen C. Q. Sheng X. H. Xu Y. Y. Jiang W. N. Zhang C. He 2007 Biol. Pharm. Bull. 7 1246 1253 10.1248/bpb.30.1246 (Pubitemid 47037647)
- (2007) Biological and Pharmaceutical Bulletin , vol.30 , Issue.7 , pp. 1246-1253
- Chen, S.-H.¹ Sheng, C.-Q.² Xu, X.-H.³ Jiang, Y.-Y.⁴ Zhang, W.-N.⁵ He, C.⁶

31
- 0041664878
- Conservation in the CYP51 family. Role of the B′ helix/BC loop and helices F and G in enzymatic function
- DOI 10.1021/bi034663f
- G. I. Lepesheva C. Virus M. R. Waterman 2003 Biochemistry 42 9091 9101 12885242 10.1021/bi034663f 1:CAS:528:DC%2BD3sXlt1yhur8%3D (Pubitemid 36935417)
- (2003) Biochemistry , vol.42 , Issue.30 , pp. 9091-9101
- Lepesheva, G.I.¹ Virus, C.² Waterman, M.R.³

32
- 79953908714
- in press
- Cools, H. J., Parker, J. E., Kelly, D. E., Lucas, J. A., Fraaije, B. A., and Kelly, S. L. (2010) Appl. Environ. Microbiol., in press.
- (2010) Appl. Environ. Microbiol.
- Cools, H.J.¹ Parker, J.E.² Kelly, D.E.³ Lucas, J.A.⁴ Fraaije, B.A.⁵ Kelly, S.L.⁶

33
- 33749189082
- Activity of newer triazoles against Histoplasma capsulatum from patients with AIDS who failed fluconazole
- DOI 10.1093/jac/dkl133
- L. J. Wheat P. Connolly M. Smedema M. Durkin E. Brizendine P. Mann R. Patel P. M. McNicholas M. Goldman 2006 J. Antimicrob. Chemother. 6 1235 1239 10.1093/jac/dkl133 (Pubitemid 44644433)
- (2006) Journal of Antimicrobial Chemotherapy , vol.57 , Issue.6 , pp. 1235-1239
- Wheat, J.L.¹ Connolly, P.² Smedema, M.³ Durkin, M.⁴ Brizendine, E.⁵ Mann, P.⁶ Patel, R.⁷ McNicholas, P.M.⁸ Goldman, M.⁹

34
- 4444221565
- 10.1002/jcc.20084
- E. F. Pettersen T. D. Goddard C. C. Huang G. S. Couch D. M. Greenblatt E. C. Meng T. E. Ferrin 2004 J. Comput. Chem. 13 1605 1612 10.1002/jcc.20084
- (2004) J. Comput. Chem. , vol.13 , pp. 1605-1612
- Pettersen, E.F.¹ Goddard, T.D.² Huang, C.C.³ Couch, G.S.⁴ Greenblatt, D.M.⁵ Meng, E.C.⁶ Ferrin, T.E.⁷

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.