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Publications & Patents

Journal Publications (listed from most recent):

 

  1. Soares de Melo, C., Singh, V., Myrick, A., Simelane, S. B., Taylor, D., Brunschwig, C., ... & Ghorpade, S. R. Antitubercular 2-Pyrazolylpyrimidinones: Structure–Activity Relationship and Mode-of-Action Studies. Journal of Medicinal Chemistry.

  2. Fienberg, S., Eyermann, C. J., Arendse, L. B., Basarab, G. S., McPhail, J. A., Burke, J. E., & Chibale, K. (2020). Structural Basis for Inhibitor Potency and Selectivity of Plasmodium falciparum Phosphatidylinositol 4-Kinase Inhibitors. ACS Infectious Diseases.

  3. Horatscheck, A., Andrijevic, A., Nchinda, A. T., Le Manach, C., Paquet, T., Khonde, L. P., ... & Brunschwig, C. (2020). Identification of 2, 4-Disubstituted Imidazopyridines as Hemozoin Formation Inhibitors with Fast-Killing Kinetics and In Vivo Efficacy in the Plasmodium falciparum NSG Mouse Model. Journal of Medicinal Chemistry.

  4. Basarab, G. S., Doig, P., Eyermann, C. J., Galullo, V., Kern, G., Kimzey, A., Kutschke, A & Zhou, F. (2020). Antibacterial spiropyrimidinetriones with N-linked azole substituents on a benzisoxazole scaffold targeting DNA gyrase. Journal of Medicinal Chemistry.

  5. Borah, Pobitra, Pran Kishore Deb, Satyendra Deka, Katharigatta N. Venugopala, Vinayak Singh, Raghu Prasad Mailavaram, Kiran Kalia, and Rakesh Kumar Tekade. "Current scenario and future prospect in the management of COVID-19." Current medicinal chemistry (2020).

  6. Bryk, R., Mundhra, S., Jiang, X., Wood, M., Pfau, D., Weber, E., Park, S., Zhang, L., Wilson, C., Van der Westhuyzen, R. and Street, L., 2020. Potentiation of rifampin activity in a mouse model of tuberculosis by activation of host transcription factor EB. PLoS pathogens16(6), p.e1008567.

  7. Synthesis, Structure Activity Relationship and Mechanistic Studies of Aminoquinazolinones Displaying Antimycobacterial Activity. Akester JN, Njaria P, Nchinda AT, Le Manach C, Myrick A, Singh V, Lawrence N, Njoroge M, Taylor D, Moosa A, Smith A. ACS Infectious Diseases. 2020  6, 7, 1951–1964.

  8. Inhibition of the resistance-refractory Plasmodium falciparum kinase PKG delivers prophylactic, curative and transmission-blocking antimalarial activity.  M. Vanaerschot, J.M. Murithi, C.F.A. Pasaje, S. Ghidelli-Disse, L. Dwomoh, M. Bird, N.N. Spottiswoode, N. Mittal, L.B. Arendse, E.S. Owen, K. Wicht, G. Siciliano, T. Yeo, T.S. Kumar, S. Mok, E. Carpenter, M. Giddins, S. Ottilie, P. Alano, K. Chibale, M. Llinás, A.C. Uhlemann, M. Delves , A.B. Tobin, C. Doerig, E.A. Winzeler, M.C.S. Lee, J.C. Niles, and D.A. Fidock*, Cell Chemical Biology., 202

  9. Lerisetron Analogues with Antimalarial properties - Synthesis, Structure-Activity Relationship Studies and Biological Assessment R. Mueller, V. Reddy, A. Nchinda, F. Mebrahtu, D. Taylor, N. Lawrence, L. Tanner, M. Barnabe, C. Eyermann, B. Zou, R. Kondreddi, S. Lakshminarayana, M. Rottmann, L. Street, and K. Chibale* . ACS Omega 2020, 5, 6967−6982

  10. Synthesis and Evaluation of the Performance of a Small Molecule Library Based on Diverse Tropane-Related Scaffolds  R.A. Lowe, D. Taylor, K. Chibale, A. Nelson,* Stephen P. Marsden* Bioorg. Med. Chem.  2020, 28, 115442,

  11. The quest for the holy grail: New antitubercular chemical entities, targets and strategies. S. Huszár, K. Chibale and V. Singh*. Drug Discovery Today, 2020, 25 (4), 772−780,

  12. Chemotherapy for human schistosomiasis: How far have we come? What’s new? Where do we go from here?  G. A. Dziwornu, H. D. Attram, S. Gachuhi and K. Chibale*. RSC Med. Chem., 2020, 11, 455 – 490

  13. Synthesis and biological evaluation of novel quinoline-piperidine scaffolds as antiplasmodium agents. T. Van de Walle, M. Boone, J. Van Puyvelde, J. Combrinck, P. J. Smith, K. Chibale, S. Mangelinckx, and Matthias D'hooghe ∗ Eur. J. Med. Chem, 2020, 198, 112330

  14.  Plasmepsin Inhibitors in Antimalarial Drug Discovery: Medicinal Chemistry and Target Validation (2000 to Present). P. M. Cheuka, G. Dziwornu, J. Okombo, and K. Chibale* J. Med. Chem. 2020, 63, 4445−4467

  15. Structure-Activity Relationship Analyses of Fusidic Acid Derivatives Highlight Crucial Role of the C-21 Carboxylic Acid Moiety to Its Anti-mycobacterial Activity.  K. Singh, G. Kaur, P. S. Shanika, G. A. Dziwornu, J. Okombo, and K. Chibale* Bioorg. Med. Chem.  2020, 28 (Issue 13), 115530

  16.  Potentiation of rifampin activity in a mouse model of tuberculosis by activation of host transcription factor EB.  R. Bryk*, S. Mundhra, X. Jiang, M. Wood, D. Pfau, E. Weber, S. Park, L. Zhang, C. Wilson, L. Street, K. Chibale, M. Zimmerman, V. Dartois, N. Pastore, A. Ballabio, N. Hawryluk, S. Canan, J. Zeldis, V. Khetani, J.Camardo, and C. Nathan PLOS Pathogens.  2020, 28, x−x, in press, accepted for publication,

  17. Design, synthesis and characterization of novel 2-(2, 3-dichlorophenyl)-5-aryl-1, 3, 4-oxadiazole derivatives for their anti-tubercular activity against Mycobacterium tuberculosis. Ningegowda R, Chandrashekharappa S, Singh V, Mohanlall V, Venugopala KN. Chemical Data Collections. 2020 Jun 1:100431

  18. Structure Elaboration of Isoniazid: Synthesis, in silico Molecular Docking and Antimycobacterial Activity of Isoniazid-Pyrimidine Conjugates H. Kaur, L. Singh, K. Chibale and K. Singh* Molecular Diversity., 2019, x, x−x, in press, accepted for publication, JIF = 2.229  

  19. Design and synthesis of novel ferrocene-quinoline conjugates and evaluation of their electrochemical and antiplasmodium properties.  A.Minić,* T. Van de Walle, K. Van Hecke, J. Combrinck, P. J. Smith, K. Chibale, and Matthias D'hooghe ∗ Eur. J. Med. Chem, 2019, 187, x−x, in press, accepted for publication. JIF = 4.519

  20. Synthesis, In Silico Molecular Docking, ADME Evaluation and In Vitro Antiplasmodial Activity of Pyrimidine-Based Hybrid Molecules. R. Chopra, L. Singh, K. Chibale, and K. Singh* ChemistrySelect., 2019, 4 (43), 12556-12558 , JIF = 1.716  
  21. Exploring the Anti-Plasmodial 2-Aminopyridines as Potential Anti-Trypanosomal agents.  C.G.L. Veale,* D. Lamming, T. Swart, K. Chibale, H.C. Hoppe ChemMedChem 2019, 14, 2034–2041, JIF = 3.016 
  22. Semisynthetic Antimycobacterial C-3 Silicate and C-3/ C-21 Ester Derivatives of Fusidic Acid: Pharmacological Evaluation and Stability Studies in Liver Microsomes, Rat Plasma and Mycobacterium tuberculosis culture. M. Njoroge, G. Kaur, M. Espinoza-Moraga, A. Wasuna, G. Dziwornu, R. Seldon, D. Taylor, J. Okombo, D. Warner and K. Chibale* ACS Infect. Dis. 2019, 5, 1634−1644, JIF = 4.911 
  23. Azaaurones as potent antimycobacterial agents active against MDR- and XDR-TB. A. Campaniço, M. Carrasco, M. Njoroge, K. Chibale, J. Perdigão, I. Portugal, R. Moreira, D. Warner, F. Lopes*, ChemMedChem., 2019,14, 1537 - 1546.  JIF = 3.016 
  24. Five Solid Forms of a Potent Imidazopyridazine Antimalarial Drug Lead: A Preformulation Study. T. J. Noonan, K. Chibale, P. M. Cheuka, M. Kumar, S. A. Bourne, M. R. Caira* Crystal Growth & Design. 2019, 19 (8), 4683−4697 JIF = 4.153
  25. Bioisosteric ferrocenyl aminoquinoline-benzimidazole hybrids: Antimicrobial evaluation and mechanistic insights.  N. Baartzes, T. Stringer, R. Seldon, D.F. Warner, D. Taylor, S. Wittlin, K. Chibale and G. S. Smith∗ Eur. J. Med. Chem, 2019, 161, 11–21. JIF = 4.519
  26. Novel antimycobacterial C-21 amide derivatives of the antibiotic fusidic acid: Synthesis, pharmacological evaluation and rationalization of media-dependent activity using molecular docking studies in the binding site of human serum albumin.  G. A. Dziwornu, S. Kamunya, T. Ntsabo, and K. Chibale*. MedChemComm, 2019, 10, 961 - 969, JIF = 2.495 
  27. Co-crystal and salt forms of an imidazopyridazine antimalarial drug lead. T. J. Noonan, K. Chibale, P.M. Cheuka, S.A. Bourne, M.R. Caira*. Journal of Pharmaceutical Sciences 2019, 108, 2349-2357 JIF = 2.59????
  28. Novel antimycobacterial C-21 amide derivatives of the antibiotic fusidic acid: Synthesis, pharmacological evaluation and rationalization of media-dependent activity using molecular docking studies in the binding site of human serum albumin.  G. A. Dziwornu, S. Kamunya, T. Ntsabo, and K. Chibale*. MedChemComm, 2019, 10, 961 - 969, JIF = 2.495 
  29. Co-crystal and salt forms of an imidazopyridazine antimalarial drug lead. T. J. Noonan, K. Chibale, P.M. Cheuka, S.A. Bourne, M.R. Caira*. Journal of Pharmaceutical Sciences 2019, 108, 2349-2357 JIF = 2.59
  30. Dihydroartemisinin inhibits prostate cancer via JARID2/miR-7/miR-34a-dependent downregulation of Axl.  J. D. Paccez, K. Duncan, D. Sekar, R.G. Correa3, Y. Wang, X. Gu, M. Bashin, K. Chibale, T. A. Libermann and L.F. Zerbini*. Oncogenesis (2019) 8:14 https://doi.org/10.1038/s41389-019-0122-6 or Oncogenesis 2019, 8, 1−14 https://doi.org/10.1038/s41389-019-0122-6. JIF = 4.722 
  31. Incorporation of an intramolecular hydrogen bonding motif in the side chain of antimalarial benzimidazoles.  H.D. Attram, S. Wittlin and K. Chibale*. Med. Chem. Commun., 2019, 10, 450 −455, JIF = 2.495
  32. Structure−Activity Relationship and in Vitro Absorption,Distribution, Metabolism, Excretion, and Toxicity (ADMET) Studies of N‑aryl 3‑Trifluoromethyl Pyrido[1,2‑a]benzimidazoles That Are Efficacious in a Mouse Model of Schistosomiasis.  G. Mayoka, J. Keiser, C. Häberli and K. Chibale* ACS Infect. Dis. 2019, 5, 418−429 JIF = 4.911
  33. Antimalarial Pyrido[1,2‑a]benzimidazole Derivatives with Mannich Base Side Chains: Synthesis, Pharmacological Evaluation, and Reactive Metabolite Trapping Studies.  J. Okombo, C. Brunschwig, K. Singh, G.A. Dziwornu, L. Barnard, M. Njoroge, S. Wittlin and K. Chibale* ACS Infect. Dis. 2019, 5, 372−384 JIF = 4.911
  34. Multistage Antiplasmodium Activity of Astemizole Analogues and Inhibition of Hemozoin Formation as a Contributor to Their Mode of Action.  M. Kumar, J. Okombo, D. Mambwe, D. Taylor, N. Lawrence, J. Reader, M. van der Watt, D. Fontinha, M. Sanches-Vaz, B. C. Bezuidenhout, S. B Lauterbach, D. Liebenberg, L.-M. Birkholtz, T.L. Coetzer, M. Prudêncio, T. J. Egan, S. Wittlin and K. Chibale* ACS Infect. Dis. 2019, 5, 303−315 JIF = 4.911
  35. Structure−Activity Relationship Studies and Plasmodium Life Cycle Profiling Identifies Pan-Active N‑Aryl-3-trifluoromethyl Pyrido[1,2‑a]benzimidazoles Which Are Efficacious in an in Vivo Mouse Model of Malaria.  G. Mayoka, M. Njoroge, J. Okombo, L. Gibhard, M. Sanches-Vaz, D. Fontinha,L.-M. Birkholtz, J. Reader, M. van der Watt, T. L. Coetzer, S. Lauterbach, A. Churchyard, B. Bezuidenhout, T. J. Egan, C.Yeates, S. Wittlin, M. Prudêncio, and K. Chibale* J. Med. Chem. 2019, 62, 1022−1035. JIF = 6.259 
  36. Structure-activity relationship studies of antiplasmodial cyclometallated ruthenium(II), rhodium(III) and iridium(III) complexes of 2-phenylbenzimidazoles.  L. Rylands, A. Welsh, K. Maepa, T. Stringer, D. Taylor, K. Chibale and G. S. Smith∗ Eur. J. Med. Chem, 2019, 161, 11–21. JIF = 4.519
  37. Plasmodial Kinase Inhibitors: License to Cure? D. González Cabrera, A. Horatscheck, C. R. Wilson, G. Basarab, C. J. Eyermann and K. Chibale J. Med. Chem. 2018, 61, 8061−8077.
  38. UCT943, a Next-Generation Plasmodium falciparum PI4K Inhibitor Preclinical Candidate for the Treatment of Malaria.  C. Brunschwig, N. Lawrence, D. Taylor, E. Abay, M. Njoroge, G. S. Basarab, C. Le Manach, T. Paquet, D. Gonzàlez Cabrera, A. T. Nchinda, C. de Kock, L. Wiesner, P. Denti, D. Waterson, B. Blasco, D. Leroy, M. J. Witty, C. Donini, J. Duffy, S. Wittlin, K. L. White, S. A. Charman, M. Belén Jiménez-Díaz, I. Angulo-Barturen, E. Herreros, F. Javier Gamo, R. Rochford, D. Mancama, T. L. Coetzer, M. E. van der Watt, J. Reader, L-M. Birkholtz, K. C. Marsh, S. M. Solapure, J. E. Burke, J. A. McPhail, M. Vanaerschot, D. A. Fidock, P. V. Fish, P. Siegl, D. A. Smith, G. Wirjanata, R. Noviyanti, R. N. Price, J. Marfurt, K. D. Silue, L. J. Street, K. Chibale. Antimicrob. Agents Chemother., 2018, 62 (9).
  39. Expanding benzoxazole based inosine 5’-monophosphate dehydrogenase (IMPDH) inhibitor structure-activity as potential anti-tuberculosis agents. Chacko, S., Boshoff, H.I.M., Singh, V., Ferraris, D.M., Gollapalli, D.R., Zhang, M., Lawson, A.P., Pepi, M.J., Joachimiak, A., Rizzi, M., Mizrahi, V., Cuny, G.D., Hedstrom, L. J Med Chem. DOI: 10.1021/acs.jmedchem.7b01839. PMID: 29746130
  40. Hit Discovery of Mycobacterium tuberculosis Inosine Monophosphate Dehydrogenase, GuaB2, Inhibitors. Sahu, N.U., Singh, V., Ferraris, D.M., Rizzi, M., Kharkar, P.S. 2018. Biorg & Med Chem Letters. DOI: 10.1016/j.bmcl.2018.04.045
  41. A fragment-based approach to targeting inosine-5´-monophosphate dehydrogenase (IMPDH) from  Mycobacterium tuberculosis. Trapero, A., Pacitto, A., Singh, V., Sabbah, M., Coyne, A., Mizrahi, V., Blundell, T L., Ascher, D., Abell, C. 2018.  J Med Chem. DOI: 10.1021/acs.jmedchem.7b01622. PMID: 29547284
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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 
  47. 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
  48. 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
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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
  54. 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
  55. 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
  56. 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
  57. 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
  58. 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
  59. 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
  60. 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.
  61. 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
  62. 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.
  63. 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.
  64. 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.
  65. 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.
  66. 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.
  67. 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.
  68. 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.
  69. 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.
  70. 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.
  71. 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.
  72. 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.
  73. 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.
  74. 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.
  75. 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.