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Items: 1 to 50 of 314

1.

Substrate Specificity of Cysteine Proteases Beyond the S2 Pocket: Mutagenesis and Molecular Dynamics Investigation of Fasciola hepatica Cathepsins L.

Corvo I, Ferraro F, Merlino A, Zuberbühler K, O'Donoghue AJ, Pastro L, Pi-Denis N, Basika T, Roche L, McKerrow JH, Craik CS, Caffrey CR, Tort JF.

Front Mol Biosci. 2018 Apr 19;5:40. doi: 10.3389/fmolb.2018.00040. eCollection 2018.

2.

Why Funding for Neglected Tropical Diseases Should Be a Global Priority.

Reed SL, McKerrow JH.

Clin Infect Dis. 2018 Jul 18;67(3):323-326. doi: 10.1093/cid/ciy349.

PMID:
29688342
3.

Two key cathepsins, TgCPB and TgCPL, are targeted by the vinyl sulfone inhibitor K11777 in in vitro and in vivo models of toxoplasmosis.

Chaparro JD, Cheng T, Tran UP, Andrade RM, Brenner SBT, Hwang G, Cohn S, Hirata K, McKerrow JH, Reed SL.

PLoS One. 2018 Mar 22;13(3):e0193982. doi: 10.1371/journal.pone.0193982. eCollection 2018.

4.

In Vitro Efficacy of Ebselen and BAY 11-7082 Against Naegleria fowleri.

Debnath A, Nelson AT, Silva-Olivares A, Shibayama M, Siegel D, McKerrow JH.

Front Microbiol. 2018 Mar 6;9:414. doi: 10.3389/fmicb.2018.00414. eCollection 2018.

5.

Identification of cysteine protease inhibitors as new drug leads against Naegleria fowleri.

Zyserman I, Mondal D, Sarabia F, McKerrow JH, Roush WR, Debnath A.

Exp Parasitol. 2018 May;188:36-41. doi: 10.1016/j.exppara.2018.03.010. Epub 2018 Mar 15.

PMID:
29551628
6.

CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).

Debnath A, Calvet CM, Jennings G, Zhou W, Aksenov A, Luth MR, Abagyan R, Nes WD, McKerrow JH, Podust LM.

PLoS Negl Trop Dis. 2017 Dec 28;11(12):e0006104. doi: 10.1371/journal.pntd.0006104. eCollection 2017 Dec.

7.

4-aminopyridyl-based lead compounds targeting CYP51 prevent spontaneous parasite relapse in a chronic model and improve cardiac pathology in an acute model of Trypanosoma cruzi infection.

Calvet CM, Choi JY, Thomas D, Suzuki B, Hirata K, Lostracco-Johnson S, de Mesquita LB, Nogueira A, Meuser-Batista M, Silva TA, Siqueira-Neto JL, Roush WR, de Souza Pereira MC, McKerrow JH, Podust LM.

PLoS Negl Trop Dis. 2017 Dec 27;11(12):e0006132. doi: 10.1371/journal.pntd.0006132. eCollection 2017 Dec.

8.

Mass Spectrometry-Based Chemical Cartography of a Cardiac Parasitic Infection.

McCall LI, Morton JT, Bernatchez JA, de Siqueira-Neto JL, Knight R, Dorrestein PC, McKerrow JH.

Anal Chem. 2017 Oct 3;89(19):10414-10421. doi: 10.1021/acs.analchem.7b02423. Epub 2017 Sep 22.

PMID:
28892370
9.

Phenotypic, chemical and functional characterization of cyclic nucleotide phosphodiesterase 4 (PDE4) as a potential anthelmintic drug target.

Long T, Rojo-Arreola L, Shi D, El-Sakkary N, Jarnagin K, Rock F, Meewan M, Rascón AA Jr, Lin L, Cunningham KA, Lemieux GA, Podust L, Abagyan R, Ashrafi K, McKerrow JH, Caffrey CR.

PLoS Negl Trop Dis. 2017 Jul 13;11(7):e0005680. doi: 10.1371/journal.pntd.0005680. eCollection 2017 Jul.

10.

The rule of five should not impede anti-parasitic drug development.

McKerrow JH, Lipinski CA.

Int J Parasitol Drugs Drug Resist. 2017 Aug;7(2):248-249. doi: 10.1016/j.ijpddr.2017.05.003. Epub 2017 May 27.

11.

Editorial: Drug Development for Parasite-Induced Diarrheal Diseases.

Debnath A, McKerrow JH.

Front Microbiol. 2017 Apr 4;8:577. doi: 10.3389/fmicb.2017.00577. eCollection 2017. No abstract available.

12.

Rapid Chagas Disease Drug Target Discovery Using Directed Evolution in Drug-Sensitive Yeast.

Ottilie S, Goldgof GM, Calvet CM, Jennings GK, LaMonte G, Schenken J, Vigil E, Kumar P, McCall LI, Lopes ES, Gunawan F, Yang J, Suzuki Y, Siqueira-Neto JL, McKerrow JH, Amaro RE, Podust LM, Durrant JD, Winzeler EA.

ACS Chem Biol. 2017 Feb 17;12(2):422-434. doi: 10.1021/acschembio.6b01037. Epub 2016 Dec 23.

13.

Phase I Clinical Trial Results of Auranofin, a Novel Antiparasitic Agent.

Capparelli EV, Bricker-Ford R, Rogers MJ, McKerrow JH, Reed SL.

Antimicrob Agents Chemother. 2016 Dec 27;61(1). pii: e01947-16. doi: 10.1128/AAC.01947-16. Print 2017 Jan.

14.

Cysteine and Aspartyl Proteases Contribute to Protein Digestion in the Gut of Freshwater Planaria.

Goupil LS, Ivry SL, Hsieh I, Suzuki BM, Craik CS, O'Donoghue AJ, McKerrow JH.

PLoS Negl Trop Dis. 2016 Aug 8;10(8):e0004893. doi: 10.1371/journal.pntd.0004893. eCollection 2016 Aug.

15.

Location, Location, Location: Five Facts about Tissue Tropism and Pathogenesis.

McCall LI, Siqueira-Neto JL, McKerrow JH.

PLoS Pathog. 2016 May 26;12(5):e1005519. doi: 10.1371/journal.ppat.1005519. eCollection 2016 May. Review. No abstract available.

16.

X-ray structures of thioredoxin and thioredoxin reductase from Entamoeba histolytica and prevailing hypothesis of the mechanism of Auranofin action.

Parsonage D, Sheng F, Hirata K, Debnath A, McKerrow JH, Reed SL, Abagyan R, Poole LB, Podust LM.

J Struct Biol. 2016 May;194(2):180-90. doi: 10.1016/j.jsb.2016.02.015. Epub 2016 Feb 12.

17.

Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.

Jones BD, Tochowicz A, Tang Y, Cameron MD, McCall LI, Hirata K, Siqueira-Neto JL, Reed SL, McKerrow JH, Roush WR.

ACS Med Chem Lett. 2015 Dec 15;7(1):77-82. doi: 10.1021/acsmedchemlett.5b00336. eCollection 2016 Jan 14.

18.

Structure-Bioactivity Relationship for Benzimidazole Thiophene Inhibitors of Polo-Like Kinase 1 (PLK1), a Potential Drug Target in Schistosoma mansoni.

Long T, Neitz RJ, Beasley R, Kalyanaraman C, Suzuki BM, Jacobson MP, Dissous C, McKerrow JH, Drewry DH, Zuercher WJ, Singh R, Caffrey CR.

PLoS Negl Trop Dis. 2016 Jan 11;10(1):e0004356. doi: 10.1371/journal.pntd.0004356. eCollection 2016 Jan.

19.

Drug Susceptibility of Genetically Engineered Trypanosoma cruzi Strains and Sterile Cure in Animal Models as a Criterion for Potential Clinical Efficacy of Anti-T. cruzi Drugs.

Urbina JA, McKerrow JH.

Antimicrob Agents Chemother. 2015 Dec;59(12):7923-4. doi: 10.1128/AAC.01714-15. No abstract available.

20.

Recognition of the role of Natural Products as drugs to treat neglected tropical diseases by the 2015 Nobel prize in physiology or medicine.

McKerrow JH.

Nat Prod Rep. 2015 Dec 19;32(12):1610-1. doi: 10.1039/c5np90043c. Epub 2015 Oct 29. Review.

PMID:
26510605
21.

Current and Future Chemotherapy for Chagas Disease.

Gaspar L, Moraes CB, Freitas-Junior LH, Ferrari S, Costantino L, Costi MP, Coron RP, Smith TK, Siqueira-Neto JL, McKerrow JH, Cordeiro-da-Silva A.

Curr Med Chem. 2015;22(37):4293-312. Review.

PMID:
26477622
22.

Genome-Directed Lead Discovery: Biosynthesis, Structure Elucidation, and Biological Evaluation of Two Families of Polyene Macrolactams against Trypanosoma brucei.

Schulze CJ, Donia MS, Siqueira-Neto JL, Ray D, Raskatov JA, Green RE, McKerrow JH, Fischbach MA, Linington RG.

ACS Chem Biol. 2015 Oct 16;10(10):2373-81. doi: 10.1021/acschembio.5b00308. Epub 2015 Aug 13.

PMID:
26270237
23.

Utilizing Chemical Genomics to Identify Cytochrome b as a Novel Drug Target for Chagas Disease.

Khare S, Roach SL, Barnes SW, Hoepfner D, Walker JR, Chatterjee AK, Neitz RJ, Arkin MR, McNamara CW, Ballard J, Lai Y, Fu Y, Molteni V, Yeh V, McKerrow JH, Glynne RJ, Supek F.

PLoS Pathog. 2015 Jul 17;11(7):e1005058. doi: 10.1371/journal.ppat.1005058. eCollection 2015 Jul.

24.

Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.

Avelar LA, Camilo CD, de Albuquerque S, Fernandes WB, Gonçalez C, Kenny PW, Leitão A, McKerrow JH, Montanari CA, Orozco EV, Ribeiro JF, Rocha JR, Rosini F, Saidel ME.

PLoS Negl Trop Dis. 2015 Jul 14;9(7):e0003916. doi: 10.1371/journal.pntd.0003916. eCollection 2015.

25.

Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery.

Ekins S, de Siqueira-Neto JL, McCall LI, Sarker M, Yadav M, Ponder EL, Kallel EA, Kellar D, Chen S, Arkin M, Bunin BA, McKerrow JH, Talcott C.

PLoS Negl Trop Dis. 2015 Jun 26;9(6):e0003878. doi: 10.1371/journal.pntd.0003878. eCollection 2015.

26.

Prolyl Oligopeptidase from the Blood Fluke Schistosoma mansoni: From Functional Analysis to Anti-schistosomal Inhibitors.

Fajtová P, Štefanić S, Hradilek M, Dvořák J, Vondrášek J, Jílková A, Ulrychová L, McKerrow JH, Caffrey CR, Mareš M, Horn M.

PLoS Negl Trop Dis. 2015 Jun 3;9(6):e0003827. doi: 10.1371/journal.pntd.0003827. eCollection 2015.

27.

Heat shock protein 90 inhibitors repurposed against Entamoeba histolytica.

Shahinas D, Debnath A, Benedict C, McKerrow JH, Pillai DR.

Front Microbiol. 2015 Apr 28;6:368. doi: 10.3389/fmicb.2015.00368. eCollection 2015.

28.

Targeting Ergosterol biosynthesis in Leishmania donovani: essentiality of sterol 14 alpha-demethylase.

McCall LI, El Aroussi A, Choi JY, Vieira DF, De Muylder G, Johnston JB, Chen S, Kellar D, Siqueira-Neto JL, Roush WR, Podust LM, McKerrow JH.

PLoS Negl Trop Dis. 2015 Mar 13;9(3):e0003588. doi: 10.1371/journal.pntd.0003588. eCollection 2015 Mar.

29.

Synthesis of a sugar-based thiosemicarbazone series and structure-activity relationship versus the parasite cysteine proteases rhodesain, cruzain, and Schistosoma mansoni cathepsin B1.

Fonseca NC, da Cruz LF, da Silva Villela F, do Nascimento Pereira GA, de Siqueira-Neto JL, Kellar D, Suzuki BM, Ray D, de Souza TB, Alves RJ, Sales Júnior PA, Romanha AJ, Murta SM, McKerrow JH, Caffrey CR, de Oliveira RB, Ferreira RS.

Antimicrob Agents Chemother. 2015 May;59(5):2666-77. doi: 10.1128/AAC.04601-14. Epub 2015 Feb 23.

30.

Repurposing auranofin as a lead candidate for treatment of lymphatic filariasis and onchocerciasis.

Bulman CA, Bidlow CM, Lustigman S, Cho-Ngwa F, Williams D, Rascón AA Jr, Tricoche N, Samje M, Bell A, Suzuki B, Lim KC, Supakorndej N, Supakorndej P, Wolfe AR, Knudsen GM, Chen S, Wilson C, Ang KH, Arkin M, Gut J, Franklin C, Marcellino C, McKerrow JH, Debnath A, Sakanari JA.

PLoS Negl Trop Dis. 2015 Feb 20;9(2):e0003534. doi: 10.1371/journal.pntd.0003534. eCollection 2015 Feb.

31.

Protease inhibitors targeting coronavirus and filovirus entry.

Zhou Y, Vedantham P, Lu K, Agudelo J, Carrion R Jr, Nunneley JW, Barnard D, Pöhlmann S, McKerrow JH, Renslo AR, Simmons G.

Antiviral Res. 2015 Apr;116:76-84. doi: 10.1016/j.antiviral.2015.01.011. Epub 2015 Feb 7.

32.

Increased expression of tumor necrosis factor-α is associated with advanced colorectal cancer stages.

Al Obeed OA, Alkhayal KA, Al Sheikh A, Zubaidi AM, Vaali-Mohammed MA, Boushey R, Mckerrow JH, Abdulla MH.

World J Gastroenterol. 2014 Dec 28;20(48):18390-6. doi: 10.3748/wjg.v20.i48.18390.

33.

Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch.

Jílková A, Horn M, Řezáčová P, Marešová L, Fajtová P, Brynda J, Vondrášek J, McKerrow JH, Caffrey CR, Mareš M.

Structure. 2014 Dec 2;22(12):1786-1798. doi: 10.1016/j.str.2014.09.015. Epub 2014 Nov 13.

34.

Introduction: drug discovery and development for neglected diseases.

Goupil LS, McKerrow JH.

Chem Rev. 2014 Nov 26;114(22):11131-7. doi: 10.1021/cr500546h. No abstract available.

PMID:
26721412
35.

Binding mode and potency of N-indolyloxopyridinyl-4-aminopropanyl-based inhibitors targeting Trypanosoma cruzi CYP51.

Vieira DF, Choi JY, Calvet CM, Siqueira-Neto JL, Johnston JB, Kellar D, Gut J, Cameron MD, McKerrow JH, Roush WR, Podust LM.

J Med Chem. 2014 Dec 11;57(23):10162-75. doi: 10.1021/jm501568b. Epub 2014 Nov 25.

36.

4-Aminopyridyl-based CYP51 inhibitors as anti-Trypanosoma cruzi drug leads with improved pharmacokinetic profile and in vivo potency.

Calvet CM, Vieira DF, Choi JY, Kellar D, Cameron MD, Siqueira-Neto JL, Gut J, Johnston JB, Lin L, Khan S, McKerrow JH, Roush WR, Podust LM.

J Med Chem. 2014 Aug 28;57(16):6989-7005. doi: 10.1021/jm500448u. Epub 2014 Aug 19.

37.

Determinants of disease phenotype in trypanosomatid parasites.

McCall LI, McKerrow JH.

Trends Parasitol. 2014 Jul;30(7):342-9. doi: 10.1016/j.pt.2014.05.001. Epub 2014 Jun 16. Review.

PMID:
24946952
38.

R-Configuration of 4-Aminopyridyl-Based Inhibitors of CYP51 Confers Superior Efficacy Against Trypanosoma cruzi.

Choi JY, Calvet CM, Vieira DF, Gunatilleke SS, Cameron MD, McKerrow JH, Podust LM, Roush WR.

ACS Med Chem Lett. 2014 Jan 22;5(4):434-9. doi: 10.1021/ml500010m. eCollection 2014 Apr 10.

39.

Diversity-oriented synthesis yields a new drug lead for treatment of chagas disease.

Dandapani S, Germain AR, Jewett I, le Quement S, Marie JC, Muncipinto G, Duvall JR, Carmody LC, Perez JR, Engel JC, Gut J, Kellar D, Siqueira-Neto JL, McKerrow JH, Kaiser M, Rodriguez A, Palmer MA, Foley M, Schreiber SL, Munoz B.

ACS Med Chem Lett. 2013 Dec 29;5(2):149-53. doi: 10.1021/ml400403u. eCollection 2014 Feb 13.

40.

Hsp90 inhibitors as new leads to target parasitic diarrheal diseases.

Debnath A, Shahinas D, Bryant C, Hirata K, Miyamoto Y, Hwang G, Gut J, Renslo AR, Pillai DR, Eckmann L, Reed SL, McKerrow JH.

Antimicrob Agents Chemother. 2014 Jul;58(7):4138-44. doi: 10.1128/AAC.02576-14. Epub 2014 May 12.

41.

Trypsin- and Chymotrypsin-like serine proteases in schistosoma mansoni-- 'the undiscovered country'.

Horn M, Fajtová P, Rojo Arreola L, Ulrychová L, Bartošová-Sojková P, Franta Z, Protasio AV, Opavský D, Vondrášek J, McKerrow JH, Mareš M, Caffrey CR, Dvořák J.

PLoS Negl Trop Dis. 2014 Mar 27;8(3):e2766. doi: 10.1371/journal.pntd.0002766. eCollection 2014 Mar.

42.

Identification of Diversity-Oriented Synthesis Derived Small Molecule, ML341, with Cidal Activity Against Trypanosoma cruzi.

Carmody LC, Germain AR, Engel JC, Gut J, Kaiser M, Jewett I, LeQuemen S, Marie JC, Dandapani S, Rodriguez A, Perez JR, McKerrow JH, Palmer MAJ, Munoz B, Schrieber SL.

Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
2012 Dec 17 [updated 2013 Nov 7].

43.

In vitro efficacy of corifungin against Acanthamoeba castellanii trophozoites and cysts.

Debnath A, Tunac JB, Silva-Olivares A, Galindo-Gómez S, Shibayama M, McKerrow JH.

Antimicrob Agents Chemother. 2014;58(3):1523-8. doi: 10.1128/AAC.02254-13. Epub 2013 Dec 23.

44.

Rational development of 4-aminopyridyl-based inhibitors targeting Trypanosoma cruzi CYP51 as anti-chagas agents.

Choi JY, Calvet CM, Gunatilleke SS, Ruiz C, Cameron MD, McKerrow JH, Podust LM, Roush WR.

J Med Chem. 2013 Oct 10;56(19):7651-68. doi: 10.1021/jm401067s. Epub 2013 Sep 30.

45.

A cysteine protease inhibitor rescues mice from a lethal Cryptosporidium parvum infection.

Ndao M, Nath-Chowdhury M, Sajid M, Marcus V, Mashiyama ST, Sakanari J, Chow E, Mackey Z, Land KM, Jacobson MP, Kalyanaraman C, McKerrow JH, Arrowood MJ, Caffrey CR.

Antimicrob Agents Chemother. 2013 Dec;57(12):6063-73. doi: 10.1128/AAC.00734-13. Epub 2013 Sep 23.

46.

Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay.

Wiggers HJ, Rocha JR, Fernandes WB, Sesti-Costa R, Carneiro ZA, Cheleski J, da Silva AB, Juliano L, Cezari MH, Silva JS, McKerrow JH, Montanari CA.

PLoS Negl Trop Dis. 2013 Aug 22;7(8):e2370. doi: 10.1371/journal.pntd.0002370. eCollection 2013.

47.

Dissecting the active site of the collagenolytic cathepsin L3 protease of the invasive stage of Fasciola hepatica.

Corvo I, O'Donoghue AJ, Pastro L, Pi-Denis N, Eroy-Reveles A, Roche L, McKerrow JH, Dalton JP, Craik CS, Caffrey CR, Tort JF.

PLoS Negl Trop Dis. 2013 Jul 11;7(7):e2269. doi: 10.1371/journal.pntd.0002269. Print 2013.

48.

Hypothemycin, a fungal natural product, identifies therapeutic targets in Trypanosoma brucei [corrected].

Nishino M, Choy JW, Gushwa NN, Oses-Prieto JA, Koupparis K, Burlingame AL, Renslo AR, McKerrow JH, Taunton J.

Elife. 2013 Jul 9;2:e00712. doi: 10.7554/eLife.00712. Erratum in: Elife. 2013;e01214.

49.

Synthetic and natural protease inhibitors provide insights into parasite development, virulence and pathogenesis.

Rascón AA Jr, McKerrow JH.

Curr Med Chem. 2013;20(25):3078-102. Review.

PMID:
23514418
50.

Examination of the mode of action of the almiramide family of natural products against the kinetoplastid parasite Trypanosoma brucei.

Sanchez LM, Knudsen GM, Helbig C, De Muylder G, Mascuch SM, Mackey ZB, Gerwick L, Clayton C, McKerrow JH, Linington RG.

J Nat Prod. 2013 Apr 26;76(4):630-41. doi: 10.1021/np300834q. Epub 2013 Feb 27.

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