Publications
2023
1. Hackett, J. C. 22nd International Conference on Cytochrome P450 (ICCP450) J. Inorg. Biochem. 2023,
In press, https://doi.org/10.1016/j.jinorgbio.2023.112347
2. Paço, L.; Hackett, J. C.; Atkins, W. M. Nanodisc-embedded cytochrome P450 P3A4 binds
diverse ligands by distributing conformational
dynamics to its flexible elements
. J. Inorg.
Biochem. 2023, In press, .
3. Sweeney, D. T.; Zarate-Perez, F.; Stokowa-Sołtys, K. Hackett, J. C. Induced fit describes ligand binding to
membrane-associated cytochrome P450 3A4. Molecular Pharmacology, 2023, In press, https://doi.org/10.1124/molpharm.123.000698
4. Redhair, M. Nath, A.; Hackett, J. C.; Atkins,
W. M. Low molecular weight ligands bind to CYP3A4
via a branched induced fit mechanism: Implications
for O2 binding Arch. Biochem.. Biophys. 2023, In press,
2022
5. Sweeney, D. T.; Krueger, S.; Sen, K.; Hackett,
J. C. Solution structures and dynamics of anionic
lipoprotein nanodiscs J. Phys. Chem. B, 2022, 126, 2850−2862.
2020
6. Hackett, J. C. PSI relieves the pressure of membrane fusion.
J. Biol. Chem. 2020, 295, 14563-14564.
7. Paço, L.; Zarate-Perez, F.; Clouser, A. F.; Atkins, W. M., Hackett, J. C. Dynamics and mechanism of androstenedione
binding to membrane-associated aromatase. Biochemistry 2020, 25, 2999-3009.
8. Zarate-Perez, F., Hackett, J. C. Conformational selection is
present in ligand binding to cytochrome P450 19A1 lipoprotein nanodiscs
J. Inorg. Biochem. 2020, 209, 111120.
9. Redhair, M.; Hackett, J. C.; Pelletier, R. D.; Atkins, W. M.
Dynamics and Location of the Allosteric
Midazolam Site in Cytochrome P4503A4 in Lipid
Nanodiscs. Biochemistry 2020, 29,766-779.
2018
10. Jennings, G. K.; Hsu, M.-H.; Shock, L. S.; Johnson, E. F.; Hackett, J. C. Non-covalent interactions dominate dynamic
heme distortion in cytochrome P450 4B1. J. Biol.
Chem. 2018, 293,11433-11446.
11. Zarate-Perez, F.; Velázquez-Fernández, J. B., Jennings, G. K.,
Shock, L. S., Lyons, C. E.; Hackett, J. C.
Biophysical Characterization of Aptenodytes
forsteri Cytochrome P450 Aromatase. J. Inorg.
Biochem 2018, 184, 79-87.
12. Hackett, J. C. Membrane-embedded substrate recognition
by cytochrome P450 3A4 J. Biol. Chem. 2018, 293, 4037-4046.
2017
13. Tao, P.; Hackett, J. C.; Kim, J. Y.; Saffen, D.; Hayes, C. J.; Hadad, C.
“Molecular Determinants of TRPC6 Channel Recognition by FKBP12” in
Computational Chemistry Methodology in Structural Biology and Materials Sciences
ISBN 978-1-77188-568-3, Apple Academic Press, Inc., 2017.
14. Zuo, R.; Yi Zhang, Y.; Jiang, C.; Hackett, J. C.; Loria,
R.; Bruner, S. D.; Ding, Y. Improving the nitration
activity of P450 biocatalysts Sci. Rep. 2017, 7, 842.
2016
15. Jennings, G. K.; Ritchie, C. M.; Shock, L.
Hackett, J. C. N-heterocyclic carbene capture
by cytochrome P450 3A4. Mol. Pharmacol. 2016, 90, 42-51.
16. Sheldon, J. E. Dcona, M.M.; Lyons, C. E. Hackett, J. C. Hartman, M. C. T.
Photoswitchable anticancer activity via
trans–cis isomerization of a combretastatin
A-4 analog Org. Biomol. Chem. 2016, 14, 40-49.
2015
17. Di Nardo, G.; Breitner, M.; Bandino, A.; Ghosh, D.
Jennings, G. K.; Hackett, J. C.; Gilardi, G.
Evidence for an elevated aspartate pKa in the active site of
human aromatase J. Biol. Chem. 2015, 290, 1186-1196.
18. Elenewski, J. E.; Hackett, J. C. Ab Initio
Dynamics of the Cytochrome P450 Hydroxylation
Reaction J. Chem. Phys. 2015, 142, 064307.
2014
19. Jennings, G. K.; Modi, A.; Elenewski, J. E.; Ritchie,
C. M.; Nguyen, T.; Ellis, K. C.; Hackett, J. C. Spin
equilibrium and O2-binding kinetics of Mycobacterium
tuberculosis CYP51 with mutations in the histidine-threonine
dyad J. Inorg. Biochem. 2014, 136, 81-91.
2013
20. Elenewski, J. E.; Hackett, J. C. Solvatochromism
and the Solvation Structure of Benzophenone. J.
Chem. Phys. 2013, 138, 224308.
21. Elenewski, J. E.; Hackett, J. C. Cytochrome P450 Compound I in the Plane–Wave
Pseudopotential Framework: GGA Electronic and Geometric Structure of Thiolate–Ligated
Iron (IV)–Oxo Porphyrin J. Comput. Chem. 2013, 34, 1647-1660.
2012
22. Elenewski, J. E.; Hackett, J. C. A GGA+U
approach to effective electronic correlations
in thiolate-ligated iron-oxo (IV) porphyrin. J.
Chem. Phys. 2012, 137, 124311.!!!
23. Sen, K.; Hackett, J. C. Coupled electron transfer
and proton hopping in P450-catalyzed androgen
aromatization Biochemistry 2012, 51, 3039-3049.
2011
24. Lawrence, S. A.; Hackett, J. C.; Moran, R. G.
Tetrahydrofolate recognition by the mitochondrial
folate transporter J. Biol. Chem. 2011, 286, 31480-31489.
25. Sen, K.; Hackett, J. C. deformylation in lanosterol 14α-demethylase catalysis
J. Am. Chem. Soc. 2010, 132, 10293–10305. Google Scholar Citations:
35 This paper was highlighted in Patra, T., et al. Metal-Mediated Deformylation
Reactions: Synthetic and Biological Avenues. Angewandte Chemie International Edition 2011, 50, 12140-12142.
2010
26. Elenewski, J. E.; Hackett, J. C. Free Energy Landscape
of the Retinol/Serum Retinol Binding Protein Complex:
A Biological Host-Guest System J. Phys. Chem. B 2010, 114, 11315-11322.
27. Alligrant, T.; Hackett, J. C.; Alvarez, J. C.
Acid/Base and Hydrogen Bonding Effects on the
Coupled Proton-Electron Transfer of Quinones and
Hydroquinones in Acetonitrile: Mechanistic
Investigation by Voltammetry, 1H-NMR, Electronic
Spectra and Computation Electrochimica Acta 2010,
55, 6507-6516.
28. Hackett, J. C. Chemical Reactivity Theory:
A Density Functional View .
J. Am. Chem. Soc. 2010, 132, 7558.
2009
29. Sen, K.; Hackett, J. C. Molecular oxygen
activation and proton transfer mechanisms in
lanosterol 14α-demethylase catalysis J. Phys.
Chem. B. 2009 113, 8170-8182.
2007
30. Hackett J.; Xiao, Z.; Zang, X.P.; Lerner, M.L.;
Brackett, D.J.; Brueggemeier, R.W.; Li, P.K.;
Pento, J.T. Development of keratinocyte growth
factor receptor tyrosine kinase inhibitors for the
treatment of cancer Anticancer Res. 2007, 27, 3801-3806.
31. Wang, J.; Kubicki, J.; Burdzinski, G.; Hackett,
J. C.; Gustafson, T. L.; Hadad, C. M.; Platz, M.
S. Early events in the photochemistry of 2-naphthyl
azide from femtosecond UV/Vis spectroscopy and quantum chemical
calculations Direct Observation of a very short-lived
singlet nitrene. J. Org. Chem. 2007, 72, 7581-7581.
32. Hackett, J. C; Sanan, T.; Hadad, C. M. Oxidation
of perhalogenated benzenes by cytochrome P450
Compound I Biochemistry, 2007, 46, 5924-5940.
33. Muthukrishnan, S.; Mandel, S. M.; Hackett, J. C.; Singh,
N. D. P.; Hadad, C. M.; Gudmundsdottir, A. D.
Competition between α-cleavage and energy transfer
in α-azidoacetophenones J. Org. Chem. 2007, 72, 2757-2768.
2006
34. Burdzinski, G.; Hackett, J. C.; Wang, J.; Gustafson,
T.; Hadad, C. M.; Platz, M. S. Early Events in the
Photochemistry of Aryl Azides from Femtosecond UV/Vis
Spectroscopy and Quantum Chemical Calculations J.
Am. Chem. Soc. 2006, 128, 13402-13411.
2005
35. Su, B.; Hackett, J. C ; Diaz-Cruz, E. S.;
Kim, Y.-W.; Brueggemeier, R. W. Lead
optimization of 7-benzyloxy 2-(4’-pyridylmethyl)thio
isoflavone aromatase inhibitors Bioorg. Med. Chem. 2005, 13, 6571-6577.!!!
36. Burdzinski, G.; Gustafson, T.; Hackett, J. C; Hadad, C. M.;
Platz, M. S. The Direct Detection of an Aryl
Azide Excited State: An Ultrafast Study of the
Photochemistry of Para and Ortho-Biphenyl Azide
J. Am. Chem. Soc. 2005, 127, 13764-13765.
37. Brueggemeier, R. W.; Hackett, J. C;
Diaz-Cruz, E. D. Aromatase inhibitors for
the treatment of breast cancer. Endocrine
Rev. 2005, 26, 331-345.
38. Hackett, J. C; Brueggemeier, R. W.;
Hadad, C. M. The final catalytic step of
cytochrome P450 aromatase: A density
functional theory study J. Am. Chem.
Soc. 2005, 127, 5224-5237.
39. Hackett, J. C; Kim, Y.-W.; Brueggemeier,
R. W. Synthesis and Characterization of Azole
Isoflavone Inhibitors of Aromatase Bioorg.
Med. Chem. 2005, 13, 4063-4070.
2004
40. Kim, Y.-W.; Hackett, J. C; Brueggemeier,
R. W. Synthesis and Aromatase Inhibitory
Activity of Novel Pyridine-Containing
Isoflavones J. Med. Chem. 2004, 47, 4032-4040.