Literature DB >> 24494061

Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.

Zhongsheng Zhang1, Kayode K Ojo2, Ramasubbarao Vidadala3, Wenlin Huang1, Jennifer A Geiger4, Suzanne Scheele4, Ryan Choi2, Molly C Reid2, Katelyn R Keyloun2, Kasey Rivas2, Latha Kallur Siddaramaiah1, Kenneth M Comess5, Kenneth P Robinson5, Philip J Merta5, Lemma Kifle5, Wim G J Hol1, Marilyn Parsons4, Ethan A Merritt1, Dustin J Maly3, Christophe L M J Verlinde1, Wesley C Van Voorhis2, Erkang Fan1.   

Abstract

5-Aminopyrazole-4-carboxamide was used as an alternative scaffold to substitute for the pyrazolopyrimidine of a known "bumped kinase inhibitor" to create selective inhibitors of calcium-dependent protein kinase-1 from both Toxoplasma gondii and Cryptosporidium parvum. Compounds with low nanomolar inhibitory potencies against the target enzymes were obtained. The most selective inhibitors also exhibited submicromolar activities in T. gondii cell proliferation assays and were shown to be non-toxic to mammalian cells.

Entities:  

Keywords:  Calcium-dependent protein kinase-1; Cryptosporidium parvum; Enzyme inhibitor; Selectivity; Toxoplasma gondii

Year:  2014        PMID： 24494061      PMCID： PMC3908674          DOI： 10.1021/ml400315s

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  18 in total

Review 1.  The protein kinase complement of the human genome.

Authors:  G Manning; D B Whyte; R Martinez; T Hunter; S Sudarsanam
Journal:  Science       Date:  2002-12-06       Impact factor: 47.728

2.  Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.

Authors:  Eric T Larson; Kayode K Ojo; Ryan C Murphy; Steven M Johnson; Zhongsheng Zhang; Jessica E Kim; David J Leibly; Anna M W Fox; Molly C Reid; Edward J Dale; B Gayani K Perera; Jae Kim; Stephen N Hewitt; Wim G J Hol; Christophe L M J Verlinde; Erkang Fan; Wesley C Van Voorhis; Dustin J Maly; Ethan A Merritt
Journal:  J Med Chem       Date:  2012-03-13       Impact factor: 7.446

3.  Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.

Authors:  Amy K Wernimont; Jennifer D Artz; Patrick Finerty; Yu-Hui Lin; Mehrnaz Amani; Abdellah Allali-Hassani; Guillermo Senisterra; Masoud Vedadi; Wolfram Tempel; Farrell Mackenzie; Irene Chau; Sebastian Lourido; L David Sibley; Raymond Hui
Journal:  Nat Struct Mol Biol       Date:  2010-05-02       Impact factor: 15.369

4.  Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.

Authors:  Ryan C Murphy; Kayode K Ojo; Eric T Larson; Alejandro Castellanos-Gonzalez; B Gayani K Perera; Katelyn R Keyloun; Jessica E Kim; Janhavi G Bhandari; Natascha R Muller; Christophe L M J Verlinde; A Clinton White; Ethan A Merritt; Wesley C Van Voorhis; Dustin J Maly
Journal:  ACS Med Chem Lett       Date:  2010-10-14       Impact factor: 4.345

5.  Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of cyclin-dependent kinases.

Authors:  Jay A Markwalder; Marc R Arnone; Pamela A Benfield; Michael Boisclair; Catherine R Burton; Chong-Hwan Chang; Sarah S Cox; Philip M Czerniak; Charity L Dean; Deborah Doleniak; Robert Grafstrom; Barbara A Harrison; Robert F Kaltenbach; David A Nugiel; Karen A Rossi; Susan R Sherk; Lisa M Sisk; Pieter Stouten; George L Trainor; Peter Worland; Steven P Seitz
Journal:  J Med Chem       Date:  2004-11-18       Impact factor: 7.446

6.  Development of Toxoplasma gondii calcium-dependent protein kinase 1 (TgCDPK1) inhibitors with potent anti-toxoplasma activity.

Authors:  Steven M Johnson; Ryan C Murphy; Jennifer A Geiger; Amy E DeRocher; Zhongsheng Zhang; Kayode K Ojo; Eric T Larson; B Gayani K Perera; Edward J Dale; Panqing He; Molly C Reid; Anna M W Fox; Natascha R Mueller; Ethan A Merritt; Erkang Fan; Marilyn Parsons; Wesley C Van Voorhis; Dustin J Maly
Journal:  J Med Chem       Date:  2012-02-27       Impact factor: 7.446

7.  Thermal denaturation: a method to rank slow binding, high-affinity P38alpha MAP kinase inhibitors.

Authors:  Rachel R Kroe; John Regan; Al Proto; Gregory W Peet; Tapon Roy; Laura D Landro; Natalie G Fuschetto; Christopher A Pargellis; Richard H Ingraham
Journal:  J Med Chem       Date:  2003-10-23       Impact factor: 7.446

8.  Closing the diarrhoea diagnostic gap in Indian children by the application of molecular techniques.

Authors:  S S R Ajjampur; P Rajendran; S Ramani; I Banerjee; B Monica; P Sankaran; V Rosario; R Arumugam; R Sarkar; H Ward; G Kang
Journal:  J Med Microbiol       Date:  2008-11       Impact factor: 2.472

9.  Optimizing small molecule inhibitors of calcium-dependent protein kinase 1 to prevent infection by Toxoplasma gondii.

Authors:  Sebastian Lourido; Chao Zhang; Michael S Lopez; Keliang Tang; Jennifer Barks; Qiuling Wang; Scott A Wildman; Kevan M Shokat; L David Sibley
Journal:  J Med Chem       Date:  2013-03-26       Impact factor: 7.446

10.  Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.

Authors:  Christopher Pargellis; Liang Tong; Laurie Churchill; Pier F Cirillo; Thomas Gilmore; Anne G Graham; Peter M Grob; Eugene R Hickey; Neil Moss; Susan Pav; John Regan
Journal:  Nat Struct Biol       Date:  2002-04
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  31 in total

1.  Evaluation of the basic functions of six calcium-dependent protein kinases in Toxoplasma gondii using CRISPR-Cas9 system.

Authors:  Jin-Lei Wang; Si-Yang Huang; Ting-Ting Li; Kai Chen; Hong-Rui Ning; Xing-Quan Zhu
Journal:  Parasitol Res       Date:  2016-02       Impact factor: 2.289

Review 2.  Designing selective inhibitors for calcium-dependent protein kinases in apicomplexans.

Authors:  Raymond Hui; Majida El Bakkouri; L David Sibley
Journal:  Trends Pharmacol Sci       Date:  2015-05-20       Impact factor: 14.819

3.  Development of 5-Aminopyrazole-4-carboxamide-based Bumped-Kinase Inhibitors for Cryptosporidiosis Therapy.

Authors:  Wenlin Huang; Matthew A Hulverson; Ryan Choi; Samuel L M Arnold; Zhongsheng Zhang; Molly C McCloskey; Grant R Whitman; Robert C Hackman; Kasey L Rivas; Lynn K Barrett; Kayode K Ojo; Wesley C Van Voorhis; Erkang Fan
Journal:  J Med Chem       Date:  2019-03-15       Impact factor: 7.446

4.  A Novel Calcium-Dependent Kinase Inhibitor, Bumped Kinase Inhibitor 1517, Cures Cryptosporidiosis in Immunosuppressed Mice.

Authors:  Alejandro Castellanos-Gonzalez; Hayley Sparks; Samantha Nava; Wenlin Huang; Zhongsheng Zhang; Kasey Rivas; Matthew A Hulverson; Lynn K Barrett; Kayode K Ojo; Erkang Fan; Wesley C Van Voorhis; Arthur Clinton White
Journal:  J Infect Dis       Date:  2016-10-12       Impact factor: 5.226

5.  Novel Bumped Kinase Inhibitors Are Safe and Effective Therapeutics in the Calf Clinical Model for Cryptosporidiosis.

Authors:  Deborah A Schaefer; Dana P Betzer; Kylie D Smith; Zachary G Millman; Hannah C Michalski; Sarah E Menchaca; Jennifer A Zambriski; Kayode K Ojo; Matthew A Hulverson; Samuel L M Arnold; Kasey L Rivas; Rama S R Vidadala; Wenlin Huang; Lynn K Barrett; Dustin J Maly; Erkang Fan; Wesley C Van Voorhis; Michael W Riggs
Journal:  J Infect Dis       Date:  2016-10-17       Impact factor: 5.226

Review 6.  Extended-spectrum antiprotozoal bumped kinase inhibitors: A review.

Authors:  Wesley C Van Voorhis; J Stone Doggett; Marilyn Parsons; Matthew A Hulverson; Ryan Choi; Samuel L M Arnold; Michael W Riggs; Andrew Hemphill; Daniel K Howe; Robert H Mealey; Audrey O T Lau; Ethan A Merritt; Dustin J Maly; Erkang Fan; Kayode K Ojo
Journal:  Exp Parasitol       Date:  2017-01-05       Impact factor: 2.011

7.  Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.

Authors:  Rama Subba Rao Vidadala; Kasey L Rivas; Kayode K Ojo; Matthew A Hulverson; Jennifer A Zambriski; Igor Bruzual; Tracey L Schultz; Wenlin Huang; Zhongsheng Zhang; Suzanne Scheele; Amy E DeRocher; Ryan Choi; Lynn K Barrett; Latha Kallur Siddaramaiah; Wim G J Hol; Erkang Fan; Ethan A Merritt; Marilyn Parsons; Gail Freiberg; Kennan Marsh; Dale J Kempf; Vern B Carruthers; Nina Isoherranen; J Stone Doggett; Wesley C Van Voorhis; Dustin J Maly
Journal:  J Med Chem       Date:  2016-07-01       Impact factor: 7.446

8.  Toxoplasma Calcium-Dependent Protein Kinase 1 Inhibitors: Probing Activity and Resistance Using Cellular Thermal Shift Assays.

Authors:  Suzanne Scheele; Jennifer A Geiger; Amy E DeRocher; Ryan Choi; Tess R Smith; Matthew A Hulverson; Rama Subba Rao Vidadala; Lynn K Barrett; Dustin J Maly; Ethan A Merritt; Kayode K Ojo; Wesley C Van Voorhis; Marilyn Parsons
Journal:  Antimicrob Agents Chemother       Date:  2018-05-25       Impact factor: 5.191

9.  5-Aminopyrazole-4-Carboxamide-Based Compounds Prevent the Growth of Cryptosporidium parvum.

Authors:  Wenlin Huang; Ryan Choi; Matthew A Hulverson; Zhongsheng Zhang; Molly C McCloskey; Deborah A Schaefer; Grant R Whitman; Lynn K Barrett; Rama Subba Rao Vidadala; Michael W Riggs; Dustin J Maly; Wesley C Van Voorhis; Kayode K Ojo; Erkang Fan
Journal:  Antimicrob Agents Chemother       Date:  2017-07-25       Impact factor: 5.191

10.  Pharmacokinetics and In Vivo Efficacy of Pyrazolopyrimidine, Pyrrolopyrimidine, and 5-Aminopyrazole-4-Carboxamide Bumped Kinase Inhibitors against Toxoplasmosis.

Authors:  Matthew A Hulverson; Igor Bruzual; Erin V McConnell; Wenlin Huang; Rama S R Vidadala; Ryan Choi; Samuel L M Arnold; Grant R Whitman; Molly C McCloskey; Lynn K Barrett; Kasey L Rivas; Suzanne Scheele; Amy E DeRocher; Marilyn Parsons; Kayode K Ojo; Dustin J Maly; Erkang Fan; Wesley C Van Voorhis; J Stone Doggett
Journal:  J Infect Dis       Date:  2019-04-16       Impact factor: 5.226
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