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T. Y. Hargrove · SciRah

Researcher profile · Semantic Scholar

T. Y. Hargrove

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T. Y. Hargrove — researcher profile on SciRah

h-index: 22
Works: 65
Citations: 2,000

Most-cited papers

Structural analyses of Candida albicans sterol 14α-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis
T. Y. Hargrove, Laura Friggeri, Z. Wawrzak, Aidong Qi +5 more
2017Journal of Biological Chemistry330 citations Open access
Semantic Scholar
Sterol 14alpha-demethylase as a potential target for antitrypanosomal therapy: enzyme inhibition and parasite cell growth.
G. Lepesheva, R. Ott, T. Y. Hargrove, Yuliya Y. Kleshchenko +5 more
2007Chemistry and Biology149 citations Open access
Semantic Scholar
Structural Insights into Inhibition of Sterol 14α-Demethylase in the Human Pathogen Trypanosoma cruzi*
G. Lepesheva, T. Y. Hargrove, S. Anderson, Yuliya Y. Kleshchenko +4 more
2010Journal of Biological Chemistry146 citations Open access
Semantic Scholar
Structure-Functional Characterization of Cytochrome P450 Sterol 14α-Demethylase (CYP51B) from Aspergillus fumigatus and Molecular Basis for the Development of Antifungal Drugs*
T. Y. Hargrove, Z. Wawrzak, David C. Lamb, F. Guengerich +1 more
2015Journal of Biological Chemistry143 citations Open access
Semantic Scholar
Crystal Structures of Trypanosoma brucei Sterol 14α-Demethylase and Implications for Selective Treatment of Human Infections*♦
G. Lepesheva, Hee-won Park, T. Y. Hargrove, Benoît Vanhollebeke +8 more
2009Journal of Biological Chemistry125 citations Open access
Semantic Scholar
Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14α-Demethylase (CYP51) from Leishmania infantum*
T. Y. Hargrove, Z. Wawrzak, Jialin Liu, W. Nes +2 more
2011Journal of Biological Chemistry118 citations Open access
Semantic Scholar
VNI cures acute and chronic experimental Chagas disease.
F. Villalta, Mark C. Dobish, P. Nde, Yulia Y. Kleshchenko +5 more
2013Journal of Infectious Diseases103 citations Open access
Semantic Scholar
In Vitro and In Vivo Studies of the Antiparasitic Activity of Sterol 14α-Demethylase (CYP51) Inhibitor VNI against Drug-Resistant Strains of Trypanosoma cruzi
Maria de Nazaré Correia Soeiro, E. M. de Souza, C. F. da Silva, Jaén Batista Denise da Gama +12 more
2013Antimicrobial Agents and Chemotherapy78 citations Open access
Semantic Scholar
Complexes of Trypanosoma cruzi Sterol 14α-Demethylase (CYP51) with Two Pyridine-based Drug Candidates for Chagas Disease
T. Y. Hargrove, Z. Wawrzak, Paul W. Alexander, Jason Chaplin +6 more
2013Journal of Biological Chemistry65 citations Open access
Semantic Scholar
Structural complex of sterol 14α-demethylase (CYP51) with 14α-methylenecyclopropyl-Δ7-24, 25-dihydrolanosterol[S]
T. Y. Hargrove, Z. Wawrzak, Jialin Liu, Michael R. Waterman +2 more
2012Journal of Lipid Research63 citations Open access
Semantic Scholar
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
T. Y. Hargrove, E. Garvey, W. Hoekstra, C. Yates +4 more
2017Antimicrobial Agents and Chemotherapy60 citations Open access
Semantic Scholar
VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
Galina I. Lepesheva, T. Y. Hargrove, Girish Rachakonda, Z. Wawrzak +10 more
2015Journal of Infectious Diseases60 citations Open access
Semantic Scholar
CYP51 structures and structure-based development of novel, pathogen-specific inhibitory scaffolds
T. Y. Hargrove, Kwangho Kim, Maria de Nazaré Correia Soeiro, C. F. da Silva +6 more
2012International Journal for Parasitology: Drugs and Drug Resistance56 citations Open access
Semantic Scholar
Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma cruzi Sterol 14α-Demethylase: Two Regions of the Enzyme Molecule Potentiate Its Inhibition
Laura Friggeri, T. Y. Hargrove, Girish Rachakonda, Amanda D. Williams +7 more
2014Journal of Medicinal Chemistry47 citations Open access
Semantic Scholar
Human sterol 14α-demethylase as a target for anticancer chemotherapy: towards structure-aided drug design1
T. Y. Hargrove, Laura Friggeri, Z. Wawrzak, S. Sivakumaran +5 more
2016Journal of Lipid Research44 citations Open access
Semantic Scholar
Sterol 14α−Demethylase Structure-Based Design of VNI ((R)-N−(l- (2,4-Dichlorophenyl)-2-(1H−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
Laura Friggeri, T. Y. Hargrove, Z. Wawrzak, A. L. Blobaum +7 more
2018Journal of Medicinal Chemistry39 citations Open access
Semantic Scholar
Validation of Human Sterol 14α-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors
Laura Friggeri, T. Y. Hargrove, Z. Wawrzak, F. Guengerich +1 more
2019Journal of Medicinal Chemistry36 citations Open access
Semantic Scholar
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
W. Hoekstra, T. Y. Hargrove, Z. Wawrzak, Jaén Batista Denise da Gama +7 more
2015Antimicrobial Agents and Chemotherapy36 citations Open access
Semantic Scholar
Indomethacin Amides as a Novel Molecular Scaffold for Targeting Trypanosoma cruzi Sterol 14α-Demethylase
M. Konkle, T. Y. Hargrove, Yuliya Y. Kleshchenko, J. V. von Kries +8 more
2009Journal of Medicinal Chemistry34 citations Open access
Semantic Scholar
Concerning P450 Evolution: Structural Analyses Support Bacterial Origin of Sterol 14α-Demethylases
D. Lamb, T. Y. Hargrove, Bin Zhao, Z. Wawrzak +6 more
2020Molecular biology and evolution32 citations Open access
Semantic Scholar
Sterol 14α-Demethylase Structure-Based Optimization of Drug Candidates for Human Infections with the Protozoan Trypanosomatidae
Laura Friggeri, T. Y. Hargrove, Girish Rachakonda, A. L. Blobaum +9 more
2018Journal of Medicinal Chemistry24 citations Open access
Semantic Scholar
Sequence variation in CYP51A from the Y strain of Trypanosoma cruzi alters its sensitivity to inhibition
Tatiana S. Cherkesova, T. Y. Hargrove, M. C. Vanrell, I. Ges +3 more
2014FEBS Letters23 citations Open access
Semantic Scholar
Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14α-Demethylation
Kevin D. McCarty, Yasuhiro Tateishi, T. Y. Hargrove, G. Lepesheva +1 more
2024Angewandte Chemie22 citations
Semantic Scholar
A requirement for an active proton delivery network supports a compound I-mediated C–C bond cleavage in CYP51 catalysis
T. Y. Hargrove, Z. Wawrzak, F. Guengerich, G. Lepesheva
2020Journal of Biological Chemistry22 citations Open access
Semantic Scholar
Biodiversity of CYP51 in trypanosomes.
G. Lepesheva, T. Y. Hargrove, R. Ott, W. Nes +1 more
2006Biochemical Society Transactions22 citations
Semantic Scholar
Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
T. Y. Hargrove, Z. Wawrzak, Jialin Liu, M. Waterman +2 more
201120 citations
Semantic Scholar
Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14α-Demethylase as a Key Drug Target
T. Y. Hargrove, David C. Lamb, Z. Wawrzak, Marcus T Hull +3 more
2024Journal of Medicinal Chemistry19 citations Open access
Semantic Scholar
Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51
T. Y. Hargrove, Z. Wawrzak, Paxtyn M. Fisher, S. A. Child +4 more
2018Journal of Biological Chemistry18 citations Open access
Semantic Scholar
Processive kinetics in the three-step lanosterol 14α-demethylation reaction catalyzed by human cytochrome P450 51A1
Kevin D. McCarty, M. Sullivan, Yasuhiro Tateishi, T. Y. Hargrove +2 more
2023Journal of Biological Chemistry16 citations Open access
Semantic Scholar
A First-in-Class Pyrazole-isoxazole Enhanced Antifungal Activity of Voriconazole: Synergy Studies in an Azole-Resistant Candida albicans Strain, Computational Investigation and in Vivo Validation in a Galleria mellonella Fungal Infection Model
Sveva Pelliccia, Pasquale Russomanno, Simona Barone, Baptiste Mateu +13 more
2024Journal of Medicinal Chemistry12 citations Open access
Semantic Scholar
Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics
T. Y. Hargrove, D. Lamb, Jarrod A. Smith, Z. Wawrzak +2 more
2022Scientific Reports11 citations Open access
Semantic Scholar
Relaxed Substrate Requirements of Sterol 14α-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition
T. Y. Hargrove, Z. Wawrzak, Girish Rachakonda, W. Nes +3 more
2021Journal of Medicinal Chemistry6 citations Open access
Semantic Scholar
A bypass gateway from cholesterol to sex steroid biosynthesis circumnavigates CYP17A1
Zi-Qi Zhu, Yoon-Mi Chung, M. Alyamani, Yi-Jing Dai +14 more
2025Nature Communications4 citations Open access
Semantic Scholar
T. cruzi CYP51 complexes with UDO and UDD Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: Structural basis for pathogen-selectivity*
T. Y. Hargrove, Z. Wawrzak, Paul W. Alexander, Jason Chaplin +6 more
20134 citations
Semantic Scholar
Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1)
T. Y. Hargrove, Zdzislaw Wawrzak, G. Lepesheva
20173 citations
Semantic Scholar
Biodiversity of CYP 51 in trypanosomes
G. Lepesheva, T. Y. Hargrove, R. Ott, W. Nes +1 more
20063 citations
Semantic Scholar
Sterol 14 α −Demethylase Structure-Based Design of VNI (( R )- N − (l- Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis
Laura Friggeri, T. Y. Hargrove, Z. Wawrzak, A. L. Blobaum +9 more
20182 citations
Semantic Scholar
Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole
T. Y. Hargrove, Zdzislaw Wawrzak, Laura Friggeri, G. Lepesheva
20172 citations
Semantic Scholar
Unique Structural Features Relate to Evolutionary Adaptation of Cytochrome P450 in the Abyssal Zone
T. Y. Hargrove, David C. Lamb, Z. Wawrzak, G. Minasov +4 more
2025International Journal of Molecular Sciences1 citations Open access
Semantic Scholar
Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Laura Friggeri, T. Y. Hargrove, Zdzislaw Wawrzak, G. Lepesheva
20181 citations
Semantic Scholar
Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14-Demethylase
T. Y. Hargrove, Z. Wawrzak, Jialin Liu, W. Nes +3 more
20111 citations
Semantic Scholar
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole
G. Lepesheva, T. Y. Hargrove, S. Anderson, Z. Wawrzak +1 more
20091 citations
Semantic Scholar
Abstract PR026: A bypass gateway from cholesterol to sex steroid biosynthesis circumnavigates CYP17A1
Zi-Qi Zhu, Yoon-Mi Chung, M. Alyamani, Yi-Jing Dai +14 more
2026Cancer Research0 citations
Semantic Scholar
Cryo‐EM reveals an ensemble of cytochrome P450 reductase conformations in solution
G. Lepesheva, T. Y. Hargrove, Yi Ren
2026Protein Science0 citations Open access
Semantic Scholar
Unique structural features in a deep-sea CYP51 relate to high pressure adaptation
T. Y. Hargrove, David C. Lamb, Z. Wawrzak, G. Minasov +4 more
2024Research Square0 citations
Semantic Scholar
Human sterol 14a-demethylase (CYP51) in complex with the substrate lanosterol
T. Y. Hargrove, Z. Wawrzak, G. Lepesheva
20200 citations
Semantic Scholar
OP-MOLB200261 1..16
D. Lamb, T. Y. Hargrove, Bin Zhao, Z. Wawrzak +7 more
20200 citations
Semantic Scholar
Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Laura Friggeri, T. Y. Hargrove, Zdzislaw Wawrzak, G. Lepesheva
20190 citations
Semantic Scholar
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114
T. Y. Hargrove, Z. Wawrzak, D. Lamb, G. Lepesheva
20190 citations
Semantic Scholar
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
T. Y. Hargrove, Z. Wawrzak, D. Lamb, G. Lepesheva
20190 citations
Semantic Scholar

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