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Papers in refereed journals

2013

[142]

Drug metabolite generation using a laboratory evolved NADPH independent cytochrome P450: application of in vitro and in silico approaches. N. T. L. Chigorimbo-Murefu, S. Louw, M. Njoroge, G. Mugumbate and K. Chibale.* Drug Metabolism Letters. 2013, 21, 68-77.

[141]

Anticancer properties of distinct antimalaria drug classes. R. H. van Huijsduijne, R.K. Guy, K. Chibale, R.K. Haynes, I. Peitz, G. Kelter, M. A. Phillips, J.L. Vennerstrom, Y. Yuthavong, and T.N. C. Wells*. PLoS One., 2013, 8(12) e82962. doi:10.1371/journal.pone.0082962.

[140]

Synthesis, in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds. M. Tukulula, M. Njoroge, E.T. Abay, G. Mugumbate, L. Wiesner, D. Taylor, L. Gibhard, J. Norman, K.J. Swart, J. Gut, P.J. Rosenthal, S. Barteau, J. Streckfuss, J. Kameni-Tcheudji, K. Chibale.* ACS Med. Chem. Lett. 2013, 4, 1198−1202.

[139]

Novel anti-Plasmodial hits identified by virtual screening of the ZINC database. G. Mugumbate, A.S. Newton, P.J. Rosenthal, J.Gut, R. Moreira, K. Chibale*, and R.C. Guedes* J Comput Aided Mol Des 2013, 27, 859-871.

[138] Fast in vitro methods to determine the speed of action and the stage-specificity of anti-malarials in Plasmodium falciparum. C. Le Manach, C. Scheurer, S. Sax, S. Schleiferböck, D. G. 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

[137]

CRIMALDDI: platform technologies and novel anti-malarial drug targets. H. Vial, D. Taramelli, I.C. Boulton, S. A. Ward*, C. Doerig and K. Chibale Malaria Journal 2013, 12, 396.

[136] 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, D. G. 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.

[135]

3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies. P. Mutai, M. Heydenreich, G. Thoithi, G. Mugumbateb, K. Chibale and A. Yenesew* Phytochemistry Letters 2013, 6, 671−675.

[134]

Di- and Trinuclear Ruthenium, Rhodium, and Iridium-Functionalized Pyridyl Aromatic Ethers: A New Class of Antiparasitic Agents. P. Chellan, K.M. Land, A. Shokar, A. Au, S. Hwan An, D. Taylor, P.J. Smith, K. Chibale and G.S. Smith* Organometallics 2013, 32, 4793−4804.

[133]

Heterobimetallic ferrocenylthiosemicarbazone palladium(II) complexes: Synthesis, electrochemistry and antiplasmodial evaluation. M. Adams, C. de Kock, P. J. Smith, P. Malatji, A.T. Hutton, K. Chibale and G. S. Smith.* Journal of Organometallic Chemistry 739 2013, 15-20.

[132] 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 

[131]

Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents. M. Tukulula, M. Njoroge, G. C. Mugumbate, J. Gut, P.J. Rosenthal, S. Barteau, J. Streckfuss, O. Heudi, J. Kameni-Tcheudji, and K. Chibale* Bioorg. Med. Chem. 2013, 21, 4904-4913.

[130]

Design, Synthesis and Antiplasmodial Activity of Hybrid Compounds Based on (2R,3S)-N-Benzoyl-3-Phenylisoserine. P. Njogu, J. Gut, P.J. Rosenthal, and K. Chibale,* ACS Med. Chem. Lett. 2013, 4, 637−641.

[129]

Synthesis, Antiplasmodial Activity and β-hematin Inhibition of Hydroxypyridone -Chloroquine Hybrids. A.W. Andayi, T. J. Egan, J. Gut, P.J. Rosenthal, and K. Chibale,* ACS Med. Chem. Lett. 2013, 4, 642−646.

[128]

Synthesis of 4-aminoquinoline-pyrimidine hybrids as potent antimalarials and their mode of action studies. K. Singh,* H. Kaur, K. Chibale, and J. Balzarini, Eur. J. Med. Chem. 2013, 66, 314-323.

[127]

Structure-activity relationships for ferriprotoporphyrin IX association and -hematin inhibition by 4-aminoquinolines using experimental and ab initio methods. S. Nsumiwa, D. Kuter , S. Wittlin, K. Chibale, T.J. Egan* *Bioorg. Med. Chem. 2013, 21, 3738-3748.

[126]

Synthesis, characterization and antiplasmodial evaluation of cyclopalladated thiosemicarbazone complexes. M. Adams, C. de Kock, P.J. Smith, K. Chibale and G. S. Smith,* Journal of Organometallic Chemistry. 2013, 736, 19−26.

[125]

In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. M. Espinoza-Moraga, N. Njuguna, G. Mugumbate, J. Caballero and K. Chibale* J. Chem. Inf. Model. 2013, 53, 649−660.

[124]

Synthesis and antiplasmodial evaluation of aziridine-(iso)quinoline hybrids and their ring-opening products. S. Vandekerckhove, S. De Moor, D. Segers, C. de Kock, P. J. Smith, K. Chibale, N. De Kimpe* and M. D'hooghe* Med. Chem. Commun., 2013, 4, 724-730.

[123]

Recent Developments in Rationally Designed Multitarget Antiprotozoan Agents. P. M. Njogu and K. Chibale*. Curr. Med. Chem., 2013, 20(13), 1715-1742.

[122]

The synthesis and antiparasitic activity of aryl and ferrocenyl-derived thiosemicarbazone ruthenium(II)-arene complexes. M. Adams, Y. Li, H. Khot, C. De Kock, P. J. Smith, K. Land, K. Chibale and G. S. Smith*. Dalton Trans., 2013, 42 (13), 4677 - 4685.

[121]

Synthesis, Characterization and Pharmacological Evaluation of Silicon-Containing Aminoquinoline Organometallic Complexes as Antiplasmodial, Antitumor and Antimycobacterial Agents . Y. Li, C. de Kock, P.J. Smith, H. Guzgay, D.T. Hendricks, K. Naran, V. Mizrahi, D. F. Warner, K. Chibale* and G. S. Smith*. Organometallics 2013, 32, 141−150.

[120]

Synthesis of 2-aminomethyl-4-phenyl-1-azabicyclo[2.2.1]heptanes via LiAlH4-induced reductive cyclization of 2-(4-chloro-2-cyano-2-phenylbutyl)aziridines and evaluation of their antimalarial activity. M. D’hooghe *, K. Vervisch, K. W. Törnroos, T. Verhaeghe, T. Desmet, C. Lategan, P.J. Smith, K. Chibale, N. De Kimpe * Bioorg. Med. Chem. Lett. 2013, 23, 1507-1510.

[119]

Synthesis, antiplasmodial and antimycobacterial evaluation of new nitroimidazole and nitroimidazooxazine derivatives. M. Tukulula, R.-K.Sharma, M. Meurillon, A. Mahajan, K. Naran, D. Warner, J. Huang, B. Mekonnen, and K. Chibale,* ACS Med. Chem. Lett. 2013, 4, 128−131.

[118]

Cyclometallated Pd(II) thiosemicarbazone complexes: new catalyst precursors for Suzuki-coupling reactions H. Yan, P. Chellan, T. Li, Jincheng Mao*, K. Chibale, G. S. Smith* Tetrahedron Letts 2013, 54, 154-157.

[117]

Synthesis and antiplasmodial evaluation of novel (4-aminobutyloxy)quinolines. S. Vandekerckhove, C. Müller, D. Vogt, C. Lategan, P. J. Smith, K. Chibale, N. De Kimpe, M. D’hooghe Bioorg. Med. Chem. Lett. 2013, 23, 318-322.