Anti-Parasite Drug Design
(other than protein prenylation)

 

Buckner, F.; Buchysnskyy, A.; Najendar, P.; Patrick, D.A.; Gillespie, J.R.; Herbst, Z.; Tidwell, R.R.; Gelb, M.H.  "Phenotypic Drug Discovery for Human African Trypanosomiasis: A Powerful Approach.Trop. Med. Infect. Dis., 2020, 5, 23. DOI:10.3390/tropicalmed5010023

Patrick, D.A.; Gillespie, J.R.; McQueen, J.; Hulverson, M.A.; Ranade, R.M.; Creason, S.A.; Herbst, Z.M.; Gelb, M.H.; Buckner, F.S.; Tidwell, R.R. Urea Derivatives of 2-Aryl-benzothiazol-5-amines: A New Class of Potential Drugs for Human African Trypanosomiasis. J Med Chem. 2017, 60, 957-971. doi: 10.1021/acs.jmedchem.6b01163. Article

Tatipaka, H. B., Gillespie, J. R., Chatterjee, A. K., Norcross, N. R., Halverson, M. A., Ranade, R. M., Nagendar, P., Creason, S. A., McQueen, J., Duster, N. A., Nagle, A., Supek, F., Molteni, V. Wenzler, T., Brun, R., Glynne, R., Buckner, F. S., and Gelb, M. H. (2014) Substituted 2-Phenylimidazopyridines: A new class of drug leads for human African Trypanosomiasis, J. Med. Chem., 57(3):828-835, PMID: 24354316, PMCID: PMC3962778. reprint

Buckner F. S., Fau – Bahia, M. T., Bahia Mt Fau – Suryadevara, P. K., Suryadevara Pk Fau – White, K. L., White Kl Fau – Shackleford, D. M., Shackleford Dm Fau – Chennamaneni, N. K., Chennamaneni Nk Fau – Hulverson, M. A., et al. (2012). Pharmacological characterization, structural studies, and in vivo activities of anti-Chagas disease lead compounds derived from tipifarnib. Antimicrob Agents Chemother. 56(9):4914-21. PMID: 22777048, PMCID: PMC3421879. reprint supp.

Pacrez-Moreno, G., Sealey-Cardona, M., Rodrigues-Poveda, C., Gelb, M. H., Ruiz-Pacrez, L. M., Castillo-Acosta, V., et al. (2012). Endogenous sterol biosynthesis is important for mitochondrial function and cell morphology in procyclic forms of Trypanosoma brucei. International Journal for Parasitology, 42(11), 975-989. PMID: 22964455. reprint

Crowther, G. J., Napuli, A. J., Gilligan, J. H., Gagaring, K., Borboa, R., Francek, C., Chen, Z., Dagostino, E. F., Stockmyer, J. B., Wang, Y., Rodenbough, P. P., Castaneda, L. J., Leibly, D. J., Bhandari, J., Gelb, M. H., Brinker, A., Engels, I. H., Taylor, J., Chatterjee, A. K., Fantauzzi, P., Glynne, R. J., Van Voorhis, W. C., Kuhen, K. L. (2011) Identification of inhibitors of putative malaria drug targets among novel antimalarial compounds. Mol. Biochem. Parasitol., 175:21-29. PMID: 20813141, PMCID: PMC3108854. reprint

Whitty, A., Gelb, M. H. (2010) Critical challenges and emerging paradigms in drug discovery, Curr. Opin. Chem. Biol., 14(4):437-439. PMID: 20621548, PMCID: PMC3060036. reprint

Kraus, J. M., Tatipaka, H. B., McGuffin, S. A., Chennamaneni, N. K., Karimi, M., Arif, J., Verlinde, L. M. J., Buckner, F. S., Gelb, M. H. (2010) Second generation analogues of the cancer drug clinical candidate Tipifarnib for anti-Chagas disease drug discovery. J. Med. Chem., 53:3887-3898. PMID: 20429511, PMCID: PMC2877169. reprint supp.

Crowther, G. J., He, P., Rodenbough, P. P., Thomas, A. P., Kovzun, K. V., Leibly, D. J., Bhandari, J., Castaneda, L. J., Hol, W. G. J., Gelb, M. H., Napuli, A. J., Van Voorhis, W. C. (2010) Use of thermal melt curves to assess the quality of enzyme preparations, Analytical Biochemistry, 399:268-275. PMID: 20018159, PMCID: PMC3270315. reprint

Chennamaneni, N. K., Arif, J., Buckner, F. S. and Gelb, M. H. (2009) Isoquinoline-based analogs of the cancer drug clinical candidate tipifarnib as anti-Trypanosoma cruzi agents, Bioorganic and Medicinal Chemistry Letters, 19:6582-6584. PMID: 19875282, PMCID: PMC2783978. reprint supp.

Suryadevara, P. K., Olepu, S., Lockman, J. W., Ohkanda, J., Karimi, M. Verlinde, C. L. M. J., Kraus, J. M., Schoepe, J., Van Voorhis, W. C., Hamilton, A. D., Buckner, F. S., and Gelb, M. H., (2009) Structurally simple inhibitors of lanosterol 14alpha-demethylase are efficacious in a rodent model of acute Chagas disease, J. Med. Chem. 52:3703-3715. PMID: 19463001, PMCID: PMC2771698. reprint supp.

Kraus, J. M., Verlinde, C. L. M. J., Karimi, Mandana, Lepesheva, G. I., Gelb, M. H., and Buckner, F. S. (2009) Rational modification of a candidate cancer drug for use against chagas disease. J. Med Chem. 52:1639-1647. PMID: 19239254, PMCID: PMC2715367. reprint supp supp

Torres-Santos, E. C., Sampaio-Santos, M. I., Buckner, F. S., Yokoyama, K., Gelb, M., Urbina, J. A., and Rossi-Bergmann, B. (2009) Altered sterol profile induced in Leishmania amazonensis by a natural dihydroxymethoxylated chalcone, Journal of Antimicrobial Chemotherapy, 63:469-472. PMID: 19176591, PMCID: PMC2640159. reprint

Fan, E., Baker, D., Fields, S., Gelb, M. H., Buckner, F. S., Van Voorhis, W. C., Phizicky, E., Dumont, M., Mehlin, C., Grayhack, E., Sullivan, M., Verlinde, C., Detitta, G., Meldrum D. R., Merritt, E. A., Earnest, T., Soltis, M., Zucker, F., Myler, P. J., Schoenfeld, L., Kim, D., Worthey, L., Lacount, D., Vignali, M., Li, J., Mondal, S., Massey, A., Carroll, B., Gulde, S., Luft, J., Desoto, L., Holl, M., Caruthers, J., Bosch, J., Robien, M., Arakaki, T., Holmes, M., Le, Trong I., Hol, W. G. (2008) “Structural genomics of pathogenic protozoa: an overview” Methods Mol Biol., 426:497-513. PMID: 18542886. reprint

Ojo, Kayode K., Gillespie, J. Robert, Reichers, Aaron J., Napuli, Alberto J., Verlinde, Christophe L. M. J., Buckner, Frederick S., Gelb, Michael H., Domostoj, Mathias M., Wells, Susan J., Scheer, Alexander, Wells, Timothy N. C., and Van Voorhis, Wesley C. (2008) “Glycogen synthase kinase 3 is a potential drug target for African trypanosomiasis therapy,” Antimicrobial Agents and Chemotherapy 52:3710-3717. PMID: 18644955, PMCID: PMC2565902. reprint.pdf

Mehlin, C., Boni, E., Buckner, F. S., Engel, L., Feist, T., Gelb, M. H., Haji, L., Kim, D., Liu, C., Mueller, N., Myler, P. J., Reddy, J. T., Sampson, J. N., Subramanian, E., Van Voorhis, W. C., Worthey, E., Zucker, F., Hol, W. G. (2006) “Heterologous expression of proteins from Plasmodium falciparum: results from 1000 genes,” Mol Biochem Parasitol. 148:144-160. PMID: 16644028. reprint.pdf

Eastman, R. T., Buckner, F. S., Yokoyana, K., Gelb, M. H. and Van Voorhis, W. C. (2006) “Thematic review series: lipid posttranslational modifications. Fighting parasitic disease by blocking protein farnesylation,” J. Lipid Res. 47: 233-40 reprint.pdf

Gelb, M. H., Van Voorhis, W. C., Buckner, F. S., Yokoyama, K., Eastman, R., Carpenter, E. P., Panethymitaki, C., Brown, K. A., and Smith, D. F. (2003) “Protein farnesyl and N-myristoyl transferases: piggy-back medicinal chemistry targets for the development of antitrypanosomatid and antimalarial therapeutics,” Molec. Biochem. Parasitol., 126:155-163. reprint.pdf

Choe, J., Suresh, S., Wisedchaisri, G., Kennedy, K. J., Gelb, M. H. and Hol, W. G. J. (2002) “Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase,” Chem. Biol., 9:1189-1197. reprint.pdf

Gelb, M. H. and Hol, W. J. G. (2002) “Drugs to combat tropical protozoan parasites,” Science, 297:343-344. reprint.pdf

Suresh, S., Bressi, J. C., Kennedy, K. J., Verlinde, C. L. M. J., Gelb, M. H., and Hol, W. G. J. (2001) “Conformational Changes in Leishmania mexicana Glyceraldehyde-3-phosphate Dehydrogenase Induced by Designed Inhibitors,” J. Mol. Biol., 309:423-435. reprint.pdf

Bressi, J. C., Verlinde, C. L. M .J., Aronov, A. M., Shaw, M. L., Shin, S. S., Nguyen, L. N., Suresh, S., Buckner, F. S., Van Voorhis, W. C., Kuntz, I. D., Hol, W. G. J., and Gelb, M. H. (2001) “Adenosine Analogues as Selective Inhibitors of Glyceraldehyde-3-phosphate Dehydrogenase of Trypanosomatidae via Structure-Based Drug Design,” J. Med. Chem, 44(13):2080-2093. reprint.pdf supp.

Verlinde, C. L. M. J., Hannaert, V., Blonski, C., Willson, M., Perie, J. J., Fothergill-Gilmore, L. A., Opperdoes, F. R., Gelb, M. H., Hol, W. G. J., and Michels, P. A. M. (2001) “Glycolysis as a target for the design of new anti-trypanosome drugs,” Drug Res. Updates, 4:1-14. reprint.pdf

Kennedy, K. J., Bressi, J. C., and Gelb, M. H. A Disubstituted NAD+ Analogue is a Nanomolar Inhibitor of Trypanosomal Glyceraldehyde-3-phosphate Dehydrogenase, Bioorg. Med. Chem. Lett., 11(2):95-98. reprint.pdf

Bressi, J. C., Choe, J., Hough, M. T., Buckner, F. S., Van Voorhis, W. C., Verlinde, C. L. M. J., Hol, W. G. J., Gelb, M. H. (2000) “Adenosine analogues as inhibitors of Trypanosoma brucei phosphoglycerate kinase: Elucidation of a novel binding mode for a 2-amino-N6-substituted adenosine,” J. Med. Chem., 43:4135-4150. reprint.pdf

Golisade, A., Bressi, J. C., Van Calenbergh, S., Gelb, M. H., Link, A. Polymer-Assisted Solution-Phase Synthesis of 2′-Amido-2′-deoxyadenosine Derivatives Targeted at the NAD(+)-Binding Sites of Parasite Enzymes. J Comb Chem. 2000 Sep 12;2(5):537-544. reprint.pdf

Aronov, A. M.; Suresh, S., Buckner, F. S., Van Voorhis, W. C., Verlinde, C. L., Opperdoes, F. R., Hol, W. G., Gelb, M. H. Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc Natl Acad Sci U S A. 96(8): 4273-8, 13 Apr 1999. reprint.pdf

Aronov, A. M., Verlinde, C. L., Hol, W. G., Gelb, M. H. Selective tight binding inhibitors of trypanosomal glyceraldehyde-3-phosphate dehydrogenase via structure-based drug design. J Med Chem. 41(24): 4790-9, Nov 1998. reprint.pdf

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