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Items: 23

1.

Sterol 14α-Demethylase Structure-Based Optimization of Drug Candidates for Human Infections with the Protozoan Trypanosomatidae.

Friggeri L, Hargrove TY, Rachakonda G, Blobaum AL, Fisher P, de Oliveira GM, da Silva CF, Soeiro MNC, Nes WD, Lindsley CW, Villalta F, Guengerich FP, Lepesheva GI.

J Med Chem. 2018 Dec 13;61(23):10910-10921. doi: 10.1021/acs.jmedchem.8b01671. Epub 2018 Nov 30.

PMID:
30451500
2.

Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.

Hargrove TY, Wawrzak Z, Fisher PM, Child SA, Nes WD, Guengerich FP, Waterman MR, Lepesheva GI.

J Biol Chem. 2018 Dec 14;293(50):19344-19353. doi: 10.1074/jbc.RA118.005850. Epub 2018 Oct 16.

PMID:
30327430
3.

Sterol 14α-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.

Friggeri L, Hargrove TY, Wawrzak Z, Blobaum AL, Rachakonda G, Lindsley CW, Villalta F, Nes WD, Botta M, Guengerich FP, Lepesheva GI.

J Med Chem. 2018 Jul 12;61(13):5679-5691. doi: 10.1021/acs.jmedchem.8b00641. Epub 2018 Jun 25.

4.

Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14α-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity.

Hargrove TY, Garvey EP, Hoekstra WJ, Yates CM, Wawrzak Z, Rachakonda G, Villalta F, Lepesheva GI.

Antimicrob Agents Chemother. 2017 Jun 27;61(7). pii: e00570-17. doi: 10.1128/AAC.00570-17. Print 2017 Jul.

5.

Structural analyses of Candida albicans sterol 14α-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.

Hargrove TY, Friggeri L, Wawrzak Z, Qi A, Hoekstra WJ, Schotzinger RJ, York JD, Guengerich FP, Lepesheva GI.

J Biol Chem. 2017 Apr 21;292(16):6728-6743. doi: 10.1074/jbc.M117.778308. Epub 2017 Mar 3.

6.

Human sterol 14α-demethylase as a target for anticancer chemotherapy: towards structure-aided drug design.

Hargrove TY, Friggeri L, Wawrzak Z, Sivakumaran S, Yazlovitskaya EM, Hiebert SW, Guengerich FP, Waterman MR, Lepesheva GI.

J Lipid Res. 2016 Aug;57(8):1552-63. doi: 10.1194/jlr.M069229. Epub 2016 Jun 16.

7.

Clinical Candidate VT-1161's Antiparasitic Effect In Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme CYP51 from Trypanosoma cruzi.

Hoekstra WJ, Hargrove TY, Wawrzak Z, da Gama Jaen Batista D, da Silva CF, Nefertiti AS, Rachakonda G, Schotzinger RJ, Villalta F, Soeiro Mde N, Lepesheva GI.

Antimicrob Agents Chemother. 2015 Dec 7;60(2):1058-66. doi: 10.1128/AAC.02287-15. Print 2016 Feb.

8.

Structure-Functional Characterization of Cytochrome P450 Sterol 14α-Demethylase (CYP51B) from Aspergillus fumigatus and Molecular Basis for the Development of Antifungal Drugs.

Hargrove TY, Wawrzak Z, Lamb DC, Guengerich FP, Lepesheva GI.

J Biol Chem. 2015 Sep 25;290(39):23916-34. doi: 10.1074/jbc.M115.677310. Epub 2015 Aug 12.

9.

VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.

Lepesheva GI, Hargrove TY, Rachakonda G, Wawrzak Z, Pomel S, Cojean S, Nde PN, Nes WD, Locuson CW, Calcutt MW, Waterman MR, Daniels JS, Loiseau PM, Villalta F.

J Infect Dis. 2015 Nov 1;212(9):1439-48. doi: 10.1093/infdis/jiv228. Epub 2015 Apr 15.

10.

Sequence variation in CYP51A from the Y strain of Trypanosoma cruzi alters its sensitivity to inhibition.

Cherkesova TS, Hargrove TY, Vanrell MC, Ges I, Usanov SA, Romano PS, Lepesheva GI.

FEBS Lett. 2014 Nov 3;588(21):3878-85. doi: 10.1016/j.febslet.2014.08.030. Epub 2014 Sep 12.

11.

Structural basis for rational design of inhibitors targeting Trypanosoma cruzi sterol 14α-demethylase: two regions of the enzyme molecule potentiate its inhibition.

Friggeri L, Hargrove TY, Rachakonda G, Williams AD, Wawrzak Z, Di Santo R, De Vita D, Waterman MR, Tortorella S, Villalta F, Lepesheva GI.

J Med Chem. 2014 Aug 14;57(15):6704-17. doi: 10.1021/jm500739f. Epub 2014 Jul 29.

12.

Complexes of Trypanosoma cruzi sterol 14α-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity.

Hargrove TY, Wawrzak Z, Alexander PW, Chaplin JH, Keenan M, Charman SA, Perez CJ, Waterman MR, Chatelain E, Lepesheva GI.

J Biol Chem. 2013 Nov 1;288(44):31602-15. doi: 10.1074/jbc.M113.497990. Epub 2013 Sep 18.

13.

In vitro and in vivo studies of the antiparasitic activity of sterol 14α-demethylase (CYP51) inhibitor VNI against drug-resistant strains of Trypanosoma cruzi.

Soeiro Mde N, de Souza EM, da Silva CF, Batista Dda G, Batista MM, Pavão BP, Araújo JS, Aiub CA, da Silva PB, Lionel J, Britto C, Kim K, Sulikowski G, Hargrove TY, Waterman MR, Lepesheva GI.

Antimicrob Agents Chemother. 2013 Sep;57(9):4151-63. doi: 10.1128/AAC.00070-13. Epub 2013 Jun 17.

14.

CYP51 structures and structure-based development of novel, pathogen-specific inhibitory scaffolds.

Hargrove TY, Kim K, de Nazaré Correia Soeiro M, da Silva CF, Batista DD, Batista MM, Yazlovitskaya EM, Waterman MR, Sulikowski GA, Lepesheva GI.

Int J Parasitol Drugs Drug Resist. 2012 Dec;2:178-186. Epub 2012 Jun 30.

15.

VNI cures acute and chronic experimental Chagas disease.

Villalta F, Dobish MC, Nde PN, Kleshchenko YY, Hargrove TY, Johnson CA, Waterman MR, Johnston JN, Lepesheva GI.

J Infect Dis. 2013 Aug 1;208(3):504-11. doi: 10.1093/infdis/jit042. Epub 2013 Jan 31.

16.

Structural complex of sterol 14α-demethylase (CYP51) with 14α-methylenecyclopropyl-Delta7-24, 25-dihydrolanosterol.

Hargrove TY, Wawrzak Z, Liu J, Waterman MR, Nes WD, Lepesheva GI.

J Lipid Res. 2012 Feb;53(2):311-20. doi: 10.1194/jlr.M021865. Epub 2011 Nov 30.

17.

Substrate preferences and catalytic parameters determined by structural characteristics of sterol 14alpha-demethylase (CYP51) from Leishmania infantum.

Hargrove TY, Wawrzak Z, Liu J, Nes WD, Waterman MR, Lepesheva GI.

J Biol Chem. 2011 Jul 29;286(30):26838-48. doi: 10.1074/jbc.M111.237099. Epub 2011 May 31.

18.

Structural insights into inhibition of sterol 14alpha-demethylase in the human pathogen Trypanosoma cruzi.

Lepesheva GI, Hargrove TY, Anderson S, Kleshchenko Y, Furtak V, Wawrzak Z, Villalta F, Waterman MR.

J Biol Chem. 2010 Aug 13;285(33):25582-90. doi: 10.1074/jbc.M110.133215. Epub 2010 Jun 8.

19.

Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.

Lepesheva GI, Park HW, Hargrove TY, Vanhollebeke B, Wawrzak Z, Harp JM, Sundaramoorthy M, Nes WD, Pays E, Chaudhuri M, Villalta F, Waterman MR.

J Biol Chem. 2010 Jan 15;285(3):1773-80. doi: 10.1074/jbc.M109.067470. Epub 2009 Nov 18.

20.

Indomethacin amides as a novel molecular scaffold for targeting Trypanosoma cruzi sterol 14alpha-demethylase.

Konkle ME, Hargrove TY, Kleshchenko YY, von Kries JP, Ridenour W, Uddin MJ, Caprioli RM, Marnett LJ, Nes WD, Villalta F, Waterman MR, Lepesheva GI.

J Med Chem. 2009 May 14;52(9):2846-53. doi: 10.1021/jm801643b.

21.

CYP51: A major drug target in the cytochrome P450 superfamily.

Lepesheva GI, Hargrove TY, Kleshchenko Y, Nes WD, Villalta F, Waterman MR.

Lipids. 2008 Dec;43(12):1117-25. doi: 10.1007/s11745-008-3225-y. Epub 2008 Sep 4.

22.

Sterol 14alpha-demethylase as a potential target for antitrypanosomal therapy: enzyme inhibition and parasite cell growth.

Lepesheva GI, Ott RD, Hargrove TY, Kleshchenko YY, Schuster I, Nes WD, Hill GC, Villalta F, Waterman MR.

Chem Biol. 2007 Nov;14(11):1283-93.

23.

Biodiversity of CYP51 in trypanosomes.

Lepesheva GI, Hargrove TY, Ott RD, Nes WD, Waterman MR.

Biochem Soc Trans. 2006 Dec;34(Pt 6):1161-4.

PMID:
17073776

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