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Publications & Patents

Journal Publications:

  1. Identification, Characterization, and Optimization of 2,8-Disubstituted-1,5-naphthyridines as Novel Plasmodium falciparum Phosphatidylinositol-4-kinase Inhibitors with in Vivo Efficacy in a Humanized Mouse Model of Malaria.  N. Kandepedu, D. G. Cabrera, S. Eedubilli, D. Taylor, C. Brunschwig, L. Gibhard, M. Njoroge, N. Lawrence, T. Paquet, C. J. Eyermann, T. Spangenberg, G. S. Basarab, L. J. Street, and K. Chibale* J. Med. Chem. 2018, 61, 5692 -5703. JIF = 6.259
  2. 2-Mercapto-quinazolinones as inhibitors of NDH-2 and Mycobacterium tuberculosis: Structure-activity relationships, mechanism of action and ADME characterization.  D. Murugesan, P. C. Ray, T. Bayliss, G. A. Prosser, J. R. Harrison, K. Green, C. S. de Melo, T.-S. Feng, L. J. Street, K. Chibale, D. Warner, V. Mizrahi, O. Epemolu, P. Scullion, L. Ellis, J. Riley, Y. Shishikura, L. Ferguson, M. Osuna- Cabello, K. D. Read, S. R. Green, D. A. Lamprecht, P. M. Finin, A.J.C. Steyn, T. R. Ioerger, J. Sacchettini, K. Rhee, K. Arora, C. E. Barry III, P. G. Wyatt,* and H. I.M. Boshoff,*  ACS Infect. Dis. 2018, 4, 954−969  JIF = 3.600
  3. Identification of fast-acting 2,6-disubstituted imidazopyridines that are efficacious in the in vivo humanized Plasmodium falciparum NODscidIL2Rγnull mouse model of malaria.  A. T. Nchinda, C. Le Manach, T. Paquet, D. G. Cabrera, K. J. Wicht, C. Brunschwig, M. Njoroge, E. Abay, D. Taylor, N. Lawrence, S. Wittlin, M.-B. Jiménez-Díaz, M. S. Martínez, S. Ferrer, I. Angulo-Barturen, M. J. Lafuente-Monasterio, J. Duffy, J. Burrows, L. J. Street and K. Chibale* J. Med. Chem. 2018, 61, 4213−4227. JIF = 6.259
  4. Synthesis and biological evaluation of aryl-oxadiazoles as inhibitors of Mycobacterium tuberculosis.  M. A. Martinez-Grau, I. C. G. Valcarcel, J. V. Early, R. K. Gessner, C. S. de Melo, E. M. M. de la Nava, A. Korkegian, Y. Ovechkina, L. Flint, A. Gravelle, J. W. Cramer, P. V. Desai, L. J. Street, J. Odingo, T. Masquelin, K. Chibale, and T. Parish*. Bioorg. Med. Chem. Lett.  2018, 28, 1758–1764 JIF = 2.42
  5. Potent Plasmodium falciparum gametocytocidal compounds identified by exploring the kinase inhibitor chemical space for dual active antimalarials.  M. E. van der Watt, J. Reader, A. Churchyard, S. H. Nondaba, S. B. Lauterbach, J. Niemand, S. Abayomi, R.A. van Biljon, J. I. Connacher, R. D. J. van Wyk, C. Le Manach, T. Paquet, D. G. Cabrera, C. Brunschwig, A. Theron, S. Lozano-Arias, J. F. I. Rodrigues, E. Herreros, D. Leroy, J. Duffy, L. J. Street, K. Chibale, D. Mancama, T. L. Coetzer and L.-M. Birkholtz* J Antimicrob Chemother 2018, 73, 1279–1290 JIF = 5.313 
  6. Pyrimidine-chloroquinoline hybrids: Synthesis and antiplasmodial activity.  R. Chopra, K.  Chibale and K. Singh*. Eur. J. Med. Chem, 2018, 148, 39–53. JIF = 4.519
  7. Reversed Isoniazids: Design, synthesis and evaluation against Mycobacterium tuberculosis. M. Kumar, K. Singh, A. H. Ngwane, F. Hamzabegovic, G. Abate, B. Baker, I. Wiid, D. F. Hoft, P. Ruminski, and K. Chibale* Bioorg. Med. Chem.  2018, 26, 833–844 JIF = 2.793
  8. 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group are Active against Drug Resistant <i>Plasmodium falciparum</i> and Exhibit Oral Activity in Mice". M. Joshi, J. Okombo, S. Nsumiwa, J. Ndove, D. Taylor, L. Wiesner, R. Hunter, K. Chibale, and T. Egan*.  J. Med. Chem. 2017, 60, 10245−10256 JIF = 6.259
  9. Novel Anti-tubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure Activity Relationship and Target Identification Studies.  C. Wilson, R. Gessner, A. Moosa, R. Seldon, D. Warner, V. Mizrahi, C. Soares de Melo, S. Simelane, A. Nchinda, E. Abay, D. Taylor, M. Njoroge, C. Brunschwig, N. Lawrence, H. Boshoff, C.E. Barry, F. Sirgel, P. van Helden, C. J. Harris, R. Gordon, S. Ghidelli-Disse, H. Pflaumer, M. Boesche, G. Drewes, O. Sanz, G. Santos, M. J. Rebollo-Lopez, B. Urones, C. Selenski, M. Lafuente-Monasterio, M. Axtman, J. Lelièvre, L. Ballell, R. Mueller; L. Street, S. Ghorpade* and K. Chibale*.  J. Med. Chem. 2017, 60, 10118−10134  JIF = 6.259
  10. Antimicrobial activity of organometallic isonicotinyl and pyrazinyl ferrocenyl-derived complexes. T. Stringer, R. Seldon N. Liu, D. F. Warner, Christina Tam, L. W. Cheng, K. M. Land, P.J. Smith, P.J. Smith, K. Chibale and G.S. Smith*, Dalton Trans., 2017, 46, 9875–9885 JIF = 4.029
  11. Antischistosomal Activity of Pyrido[1,2-a]benzimidazole Derivatives and Correlation with Inhibition of β-haematin Formation.  J. Okombo, K. Singh, G. Mayoka, F. Ndubi, L. Barnard, P. M. Njogu, M. Njoroge, L. Gibhard, C. Brunschwig, M. Vargas, J. Keiser, T. J. Egan and K. Chibale* ACS Infect. Dis. 2017, 3, 411−420. JIF = 3.600
  12. Intestinal Transport Characteristics and Metabolism of C-Glucosyl Dihydrochalcone, Aspalathin.  S. Bowles*, E. Joubert, D. de Beer, J. Louw, C. Brunschwig, M. Njoroge, N. Lawrence, L. Wiesner, K. Chibale, and C. Muller. Molecules 2017, 22, 554; doi:10.3390/molecules22040554 JIF = 2.861
  13. Anti-malarial efficacy and parasite life cycle characterisation of the novel Plasmodium phosphatidylinositol 4-kinase inhibitor MMV390048T. Paquet, C. Le Manach, D. González Cabrera, Y. Younis, P. P. Henrich, T. S. Abraham, M. C.S. Lee, R. Basak, S. Ghidelli-Disse, M. José Lafuente-Monasterio, M. Bantscheff, A. Ruecker, A. M. Blagborough, S.E. Zakutansky, A.-M. Zeeman, K. L. White, D. M. Shackleford, J. Mannila, J. Morizzi, C. Scheurer, I. Angulo-Barturen, M. S. Martínez, S. Ferrer, L. M. Sanz, F. Javier Gamo, J. Reader, M. Botha,  K. J. Dechering, R. W. Sauerwein, A. Tungtaeng, P. Vanachayangkul, C. S. Lim, J. Burrows, M. J. Witty, K. C. Marsh, C. Bodenreider, R. Rochford, S.M. Solapure, M. B. Jiménez-Díaz, S. Wittlin, S. A. Charman, C. Donini, B. Campo, L.-M. Birkholtz, K. K. Hanson, G. Drewes, C. H.M. Kocken, M. J. Delves,  D. Leroy, D.A. Fidock, D. Waterson, L. J. Street, and K. Chibale*Sci. Transl. Med., 2017, 9 (Issue 387), eaad9735 DOI: 10.1126/scitranslmed.aad9735.  Published online on 26 Apr 2017 JIF = 16.264
  14. Antimalarial Pyrido [1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics and In Vivo Oral Efficacy in a Mouse Model. K. Singh, J. Okombo, C. Brunschwig, F. Ndubi, L. Barnard, C. Wilkinson, P. M. Njogu, M. Njoroge, L. Laing, M. Machado, M. Prudêncio, J. Reader, M. Botha, S. Nondaba, L.-M. Birkholtz, S. Lauterbach, A. Churchyard, T. L. Coetzer, J. N. Burrows, C. Yeates, P. Denti, L. Wiesner, T. J. Egan, S. Wittlin, and K. Chibale*.  J. Med. Chem. 2017, 60, 1432−1448  JIF = 6.259
  15. Synthesis and biological characterisation of ester and amide derivatives of Fusidic acid as antiplasmodial agents.  M. Espinoza, K. Singh, M. Njoroge, G. Kaur, J. Okombo, C. De Kock, P.J. Smith, S. Wittlin and K. Chibale*.  Bioorg. Med. Chem. Lett.  2017, 27, 658-661   JIF = 2.42
  16. Bioisosteric ferrocenyl-containing quinolines with antiplasmodial and antitrichomonal properties M. Adams, T. Stringer, C. de Kock, P.J. Smith, K.M. Land, N. Liu, C. Tam, L. W. Cheng, M. Njoroge, K. Chibale and G.S. Smith*, Dalton Trans., 2016, 45, 19086–19095 JIF =3.93
  17. Identification of a potential anti-malarial drug candidate from a series of 2-aminopyrazines by optimization of aqueous solubility and potency across the parasite life-cycle. C. Le Manach, A.T. Nchinda, T. Paquet, D. G. Cabrera, Y. Younis, Z. Han, S. Bashyam, M. Zabiulla, D. Taylor, N.  Lawrence, K. L. White, S. A. Charman, D. Waterson, M. J. Witty, S. Wittlin, M. E. Botha, S. H. Nondaba, J. Reader, L-M. Birkholtz, M. B. Jiménez-Díaz, M. S. Martínez, S. Ferrer, I. Angulo-Barturen, S. Meister, Y. Antonova-Koch, E. A. Winzeler, L. J. Street and K. Chibale* J. Med. Chem. 2016, 59, 9890−9905  JIF = 6.259
  18. Design, Synthesis and Evaluation of Novel Hybrid Efflux Pump Inhibitors for use against Mycobacterium tuberculosis. M. Kumar, K. Singh, K. Naran, F. Hamzabegovic, D. F. Hoft, D. F. Warner, P. Ruminski*, G. Abate*, and K. Chibale* ACS Infect. Dis. 2016, 2, 714−725. JIF = 3.600
  19. Aminopyrazolo[1,5-a]pyrimidines as potential inhibitors of Mycobacterium tuberculosis: Structure activity relationships and ADME characterization C. Soares de Melo, T-S. Feng, R. van der Westhuyzen, R.K. Gessner, L. Street, G. Morgans, D. Warner, A. Moosa, K. Naran, N. Lawrence, H. Boshoff, C. Barry, C. Harris, R. Gordon, K. Chibale. Biorg. Med. Chem. 2015, 23, 7240-7250.
  20. A Novel Pyrazolopyridine with in Vivo Activity in Plasmodium berghei- and Plasmodium falciparum- Infected Mouse Models from Structure−Activity Relationship Studies around the Core of Recently Identified Antimalarial Imidazopyridazines. C. Le Manach, T. Paquet, C. Brunschwig, M. Njoroge, Z. Han, D. Gonzàlez Cabrera, S. Bashyam, R. Dhinakaran, D. Taylor, J. Reader, M. Botha, A. Churchyard, S. Lauterbach, T. Coetzer, L-M. Birkholtz, S. Meister, E. Winzeler, D. Waterson, M. Witty, S. Wittlin, M-B. Jiménez-Díaz, M. Santos Martínez, S. Ferrer, I. Angulo-Barturen, L. Street, and K. Chibale, J. Med. Chem. 2015, XX, XXXX
  21. Structure−Activity Relationship Studies of Orally Active Antimalarial 2,4-Diamino-thienopyrimidines. D. Gonzàlez Cabrera, F. Douelle, C. Le Manach, Z. Han, T. Paquet, D. Taylor, M. Njoroge, N. Lawrence, L. Wiesner, D. Waterson, M. Witty, S. Wittlin, L. Street and K. Chibale. J Med Chem. 2015, 58, 7572-7579.
  22. Medicinal Chemistry Optimization of Antiplasmodial Imidazopyridazine Hits from High Throughput Screening of a SoftFocus Kinase Library: Part 2. Le Manach, T. Paquet, D. Gonzalez Cabrera, Y. Younis, D. Taylor, L. Wiesner, N. Lawrence, S. Schwager, D. Waterson, M.J. Witty, S. Wittlin, L. Street, and K. Chibale. J. Med. Chem. 2014, 57, 8839−8848.
  23. Medicinal Chemistry Optimization of Antiplasmodial Imidazopyridazine Hits from High Throughput Screening of a SoftFocus Kinase Library: Part 1. Le Manach, D. González Cabrera, F. Douelle, A.T. Nchinda, Y. Younis, D. Taylor, L. Wiesner, K. White, E. Ryan, C. March, S. Duffy, V. Avery, D. Waterson, M. J. Witty, S. Wittlin; S. Charman, L. Street, and K. Chibale. J. Med. Chem. 2014, 57, 2789-2798.
  24. 2,4-Diamino-thienopyrimidines as Orally Active Antimalarial Agents. D. González Cabrera, C. Le Manach, F. Douelle, Y. Younis, T.-S. Feng, T. Paquet, A.T. Nchinda, L.J. Street, D. Taylor, C. de Kock, L. Wiesner, S. Duffy, K.L. White, K.M. Zabiulla, Y. Sambandan, S. Bashyam, D. Waterson, M.J. Witty, A. Charman, V.M. Avery, S. Wittlin, and K. Chibale. J. Med. Chem. 2014, 57, 1014-1022.
  25. Effects of a domain-selective ACE inhibitor in a mouse model of chronic angiotensin II-dependent hypertension. Burger, T.L. Reudelhuber, A. Mahajan, K. Chibale,E.D. Sturrock, R.M. Touyz. Clin. Sci. (Lond). 2014, 127(1), 57-63.
  26. Pharmacokinetic evaluation of lisinopril-tryptophan, a novel C-domain ACE inhibitor. Denti, S.K. Sharp, W.L. Kröger, S.L. Schwager, A. Mahajan, M. Njoroge, L. Gibhard, I. Smit, K. Chibale, L. Wiesner, E.D. Sturrock, N.H. Davies. Eur. J. Pharm. Sci. 2014, 56, 113-119.
  27. Fragment-based design for the development of N-domain-selective angiotensin-1-converting enzyme inhibitors. R.G. Douglas, R.K. Sharma, G. Masuyer, L. Lubbe, I. Zamora, K.R. Acharya, K. Chibale, E.D. Sturrock. Sci. (Lond). 2014, 126(4), 305-313.
  28. Fast in vitro methods to determine the speed of action and the stage-specificity of anti-malarials in Plasmodium falciparum. Le Manach, C. Scheurer, S. Sax, S. Schleiferböck, D. González Cabrera, Y. Younis, T. Paquet, L. Street, P.J. Smith, X. Ding, D. Waterson, M.J. Witty, D. Leroy, K. Chibale and S. Wittlin*. Malaria Journal, 2013, 12, 424.
  29. Structure-Activity-Relationship Studies Around the 2-Amino Group and Pyridine Core of Antimalarial 3,5-Diarylaminopyridines Lead to a Novel Series of Pyrazine Analogues with Oral in vivo Activity. Y. Younis, F. Douelle, González Cabrera, C. Le Manach, A.T. Nchinda, T. Paquet, L.J. Street, K.L. White, K. M. Zabiulla, J.T. Joseph, S. Bashyam, D. Waterson, M.J. Witty, S. Wittlin, S.A. Charman, and K. Chibale* J. Med. Chem. 2013, 56, 8860−8871.
  30. Cell-based Medicinal Chemistry Optimization of High Throughput Screening (HTS) Hits for Orally Active Antimalarials-Part 2: Hits from SoftFocus Kinase and other Libraries. Y. Younis, L. J. Street, D. Waterson, M.J. Witty, and K. Chibale. J. Med. Chem. 2013, 56, 7750−7754.
  31. Structure-Activity Relationship Studies of Orally active Antimalarial 3,5-Substituted 2-Aminopyridines. D. González Cabrera, F. Douelle, Y. Younis, T.-S. Feng, C. Le Manach, A.T. Nchinda, L.J. Street, C. Scheurer, J. Kamber, K. White, O. Montagnat, E. Ryan, K. Katneni, K.M. Zabiulla, J. Joseph, S. Bashyam, D. Waterson, M.J. Witty, S. Charman, S. Wittlin, and K. Chibale* J. Med. Chem. 2012, 55, 11022– 11030.
  32. 3,5-Diaryl-2-aminopyridines as a Novel Class of Orally Active Antimalarials Demonstrating Single Dose Cure in Mice and Clinical Candidate Potential. Y. Younis, F. Douelle, T.-S. Feng, D. González Cabrera, C. Le Manach, A.T. Nchinda, S. Duffy, K.L. White, M. Shackleford, J. Morizzi, J. Mannila, K. Katneni, R. Bhamidipati, K. M. Zabiulla, J.T. Joseph, S. Bashyam, D. Waterson, M.J. Witty, D. Hardick, S. Wittlin, V. Avery, S.A. Charman, and K. Chibale*. J. Med. Chem. 2012, 55, 3479−3487.
  33. Novel Orally Active Antimalarial Thiazoles. D. González Cabrera, F. Douelle, T.-S Feng, A.T. Nchinda, Y. Younis, K.L. White, Wu,E. Ryan, J.N. Burrows,D. Waterson, M.J. Witty,S. Wittlin,S.A. Charman and K. Chibale. J. Med. Chem. 2011, 54, 7713–7.
  34. Synthesis and molecular modeling of a lisinopril-tryptophan analogue inhibitor of angiotensin I-converting enzyme. A.T. Nchinda, K. Chibale, P. Redelinghuys and E.D. Sturrock. Med. Chem. Lett. 2006, 16(17), 4616-4619.

Patents

  1. New Anti-Malarial Agents. D. Waterson, M.J. Witty, K. Chibale, L. Street, D. González Cabrera, T. Paquet. EP patent application (2015), No. 15 176 514.6.
  2. Preparation of aminopyrazine compounds as antimalarial agents for treatment of malaria. Y. Younis, K. Chibale, M.J. Witty, D. Waterson. PCT Int Appl. (2013), WO 2013121387 A1 20130822.
  3. Preparation of peptides as angiotensin I-​converting enzyme (ACE) inhibitors. E.D. Sturrock, A.T. Nchinda, K. Chibale. PCT Int. ppl. (2006), WO 2006126087 A2 20061130.
  4. Preparation of peptides as angiotensin I-​converting enzyme (ACE) inhibitors, E.D. Sturrock, A.T. Nchinda, K. Chibale. PCT Int. ppl. (2006), WO 2006126086 A2 20061130.