Refereed Journals


[196] The dynamic non-prime binding of sampatrilat to the C-domain of angiotensin-converting enzyme. R. Sharma; M. Espinoza-Moraga; H. Poblete, R. Douglas, E. Sturrock; J. Caballero*, and K. Chibale* J. Chem. Inf. Model. 2016, 56, 2486−2494.  
[195] 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
[194] Carbon-14 radiolabelling and tissue distribution evaluation of MMV390048.  M.S. Sonopo,* A.Pillay, K. Chibale, B. Marjanovic‐Painter, C. Donini, J. R. Zeevaart. J Label Compd Radiopharm 2016, 59 (14), 680-688
[193] Synthesis of novel β-lactams and in vitro evaluation against the human malaria parasite Plasmodium falciparum. M. A. L. Blackie,* T.-S. Feng, P. J. Smith, and K. Chibale ARKIVOC 2016 (iii), 214-235
[192] 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
[191] Improvement of the chemical inhibition phenotyping assay by cross-reactivity correction. N. Njuguna, K.-ichi Umehara, F. Huth, H. Schiller, K. Chibale and G. Camenisch.  Drug Metabolism and Personalized Therapy (DMPT), 2016, 1-8.
[190] 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.
[189] Preparation and Physicochemical Characterization of an Inclusion Complex between Dimethylated β-Cyclodextrin and a Drug Lead from a New Class of Orally Active Antimalarial 3,5-Diaryl-2-Aminopyridines L.  M. Joseph, K. Chibale, and M. R. Caira* Journal of Pharmaceutical Sciences, 2016, 105, 3344-3350.  
[188] Design, synthesis and in vitro antituberculosis activity of 2(5H)-furanone derivatives. A. H. Ngwane, J.-L. Panayides, F. Chouteau, L. Macingwana, A. Viljoen, B. Baker, E. Madikane, C. de Kock, L. Wiesner, K. Chibale, C. Parkinson, E. Mmutlane, P. van Helden, I. Wiid. International Union of Biochemistry and Molecular Biology (IUBMB) Life, 2016, 68(8), 612-620.
[187] Esterase phenotyping in human liver in vitro: specificity of carboxylesterase inhibitors. K.-ichi. Umehara*, M. Zollinger, E. Kigondu, M. Witschi, C. Juif, F. Huth, H. Schiller, K. Chibale, G. Camenisch Xenobiotica, 2016, 46:10, 862-867,


Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual Screening. E. Pavadai, F. E. Mazouni, S. Wittlin, C. de Kock, M. A. Phillips and K. Chibale, J. Chem. Inf. Model., 2016, 56, 548−562.


Characterisation of artemisinin–chloroquinoline hybrids for potential metabolic liabilities. R. Thelingwani, C. Leandersson, B. Bonn, P. Smith, K. Chibale and C. Masimirembwa, Xenobiotica., 2016, 46, 234−240.


Cyclopalladated organosilane–tethered thiosemicarbazones: novel strategies for improving antiplasmodial activity. M. Adams, L. Barnard, C. de Kock, P.J. Smith, L. Wiesner, K. Chibale, and G. S. Smith, Dalton. Trans., 2016, 45, 5514−5520.

[183] New verapamil analogs inhibit intracellular mycobacteria without affecting the functions of mycobacteria-specific T cells.  G. Abate*, P. G. Ruminski, M. Kumar, K. Singh, F.  Hamzabegovic, D. F. Hoft, C. S. Eickhoff, A. Selimovic, M. Campbell, K. Chibale. Antimicrobial Agents and Chemotherapy 2016, 60 (3), 1216-1225  


Computer-Aided Drug Discovery Approaches against the Tropical Infectious Diseases Malaria, Tuberculosis, Trypanosomiasis, and Leishmaniasis. P. M. Njogu, E. M. Guantai, E. Pavadai and K. Chibale, Infect. Dis., 2016, 2, 8−31.

[181] Antiplasmodial drug targets: a patent review (2000 – 2013).  J. Okombo and K. Chibale* Expert Opin. Ther. Patents 2016, 26(1), 107−130