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Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.

Malwal SR, Chen L, Hicks H, Qu F, Liu W, Shillo A, Law WX, Zhang J, Chandnani N, Han X, Zheng Y, Chen CC, Guo RT, AbdelKhalek A, Seleem MN, Oldfield E.

J Med Chem. 2019 Mar 14;62(5):2564-2581. doi: 10.1021/acs.jmedchem.8b01878. Epub 2019 Feb 21.


Bacterial Cell Growth Inhibitors Targeting Undecaprenyl Diphosphate Synthase and Undecaprenyl Diphosphate Phosphatase.

Wang Y, Desai J, Zhang Y, Malwal SR, Shin CJ, Feng X, Sun H, Liu G, Guo RT, Oldfield E.

ChemMedChem. 2016 Oct 19;11(20):2311-2319. doi: 10.1002/cmdc.201600342. Epub 2016 Aug 31.


Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase.

Desai J, Liu YL, Wei H, Liu W, Ko TP, Guo RT, Oldfield E.

ChemMedChem. 2016 Sep 6;11(17):1915-23. doi: 10.1002/cmdc.201600311. Epub 2016 Jul 26.


Isoprenoid Biosynthesis Inhibitors Targeting Bacterial Cell Growth.

Desai J, Wang Y Dr, Wang K Dr, Malwal SR Dr, Oldfield E.

ChemMedChem. 2016 Oct 6;11(19):2205-2215. doi: 10.1002/cmdc.201600343. Epub 2016 Aug 30.


HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.

Zhang Y, Fu-Yang Lin, Li K, Zhu W, Liu YL, Cao R, Pang R, Lee E, Axelson J, Hensler M, Wang K, Molohon KJ, Wang Y, Mitchell DA, Nizet V, Oldfield E.

ACS Med Chem Lett. 2012 Apr 3;3(5):402-406.


A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery.

Kim MO, Feng X, Feixas F, Zhu W, Lindert S, Bogue S, Sinko W, de Oliveira C, Rao G, Oldfield E, McCammon JA.

Chem Biol Drug Des. 2015 Jun;85(6):756-69. doi: 10.1111/cbdd.12463. Epub 2014 Nov 25.


Targeting isoprenoid biosynthesis for drug discovery: bench to bedside.

Oldfield E.

Acc Chem Res. 2010 Sep 21;43(9):1216-26. doi: 10.1021/ar100026v.


Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads.

Sinko W, Wang Y, Zhu W, Zhang Y, Feixas F, Cox CL, Mitchell DA, Oldfield E, McCammon JA.

J Med Chem. 2014 Jul 10;57(13):5693-701. doi: 10.1021/jm5004649. Epub 2014 Jun 24.


Alendronate is a specific, nanomolar inhibitor of farnesyl diphosphate synthase.

Bergstrom JD, Bostedor RG, Masarachia PJ, Reszka AA, Rodan G.

Arch Biochem Biophys. 2000 Jan 1;373(1):231-41.


Disruption of the structural gene for farnesyl diphosphate synthase in Escherichia coli.

Fujisaki S, Takahashi I, Hara H, Horiuchi K, Nishino T, Nishimura Y.

J Biochem. 2005 Mar;137(3):395-400. Erratum in: J Biochem (Tokyo). 2006 Dec;140(6):861.


Polyprenyl phosphate biosynthesis in Mycobacterium tuberculosis and Mycobacterium smegmatis.

Crick DC, Schulbach MC, Zink EE, Macchia M, Barontini S, Besra GS, Brennan PJ.

J Bacteriol. 2000 Oct;182(20):5771-8.


Ebselen and analogs as inhibitors of Bacillus anthracis thioredoxin reductase and bactericidal antibacterials targeting Bacillus species, Staphylococcus aureus and Mycobacterium tuberculosis.

Gustafsson TN, Osman H, Werngren J, Hoffner S, Engman L, Holmgren A.

Biochim Biophys Acta. 2016 Jun;1860(6):1265-71. doi: 10.1016/j.bbagen.2016.03.013. Epub 2016 Mar 10.


Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design.

Durrant JD, Cao R, Gorfe AA, Zhu W, Li J, Sankovsky A, Oldfield E, McCammon JA.

Chem Biol Drug Des. 2011 Sep;78(3):323-32. doi: 10.1111/j.1747-0285.2011.01164.x. Epub 2011 Aug 3.


Antibacterial drug leads targeting isoprenoid biosynthesis.

Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E.

Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. Epub 2012 Dec 17.


Structure-activity relationships for inhibition of farnesyl diphosphate synthase in vitro and inhibition of bone resorption in vivo by nitrogen-containing bisphosphonates.

Dunford JE, Thompson K, Coxon FP, Luckman SP, Hahn FM, Poulter CD, Ebetino FH, Rogers MJ.

J Pharmacol Exp Ther. 2001 Feb;296(2):235-42.


Two subunits of heptaprenyl diphosphate synthase of Bacillus subtilis form a catalytically active complex.

Zhang YW, Koyama T, Marecak DM, Prestwich GD, Maki Y, Ogura K.

Biochemistry. 1998 Sep 22;37(38):13411-20.


Anthranilic Acid Inhibitors of Undecaprenyl Pyrophosphate Synthase (UppS), an Essential Enzyme for Bacterial Cell Wall Biosynthesis.

Jukič M, Rožman K, Sova M, Barreteau H, Gobec S.

Front Microbiol. 2019 Jan 14;9:3322. doi: 10.3389/fmicb.2018.03322. eCollection 2018.


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