Discovery of 1,3,4-oxadiazoles with slow-action activity against Plasmodium falciparum malaria parasites

  • Eur J Med Chem. 2024 Nov 15:278:116796. doi: 10.1016/j.ejmech.2024.116796.
Katherine T Andrews  1 ,  Gillian M Fisher  2 ,  Meaghan Firmin  2 ,  Andris J Liepa  3 ,  Tony Wilson  3 ,  James Gardiner  3 ,  Yacine Mohri  3 ,  Emmanuel Debele  3 ,  Anjana Rai  2 ,  Andrew K Davey  4 ,  Antoine Masurier  3 ,  Alix Delion  3 ,  Alexandros A Mouratidis  3 ,  Oliver E Hutt  3 ,  Craig M Forsyth  5 ,  Jeremy N Burrows  6 ,  John H Ryan  7 ,  Andrew G Riches  8 ,  Tina S Skinner-Adams  9
Affiliations
  • 1. Institute for Biomedicine and Glycomics, Griffith University, Nathan, Queensland, 4111, Australia. Electronic address: [email protected].
  • 2. Institute for Biomedicine and Glycomics, Griffith University, Nathan, Queensland, 4111, Australia.
  • 3. Commonwealth Scientific and Industrial Research Organization, Biomedical Manufacturing, Clayton, Victoria, 3168, Australia.
  • 4. Griffith Health Group, Griffith University, Gold Coast, Queensland, 4222, Australia.
  • 5. School of Chemistry, Monash University, Clayton, Victoria, 3800, Australia.
  • 6. Medicines for Malaria Venture, Geneva, Switzerland.
  • 7. Commonwealth Scientific and Industrial Research Organization, Biomedical Manufacturing, Clayton, Victoria, 3168, Australia. Electronic address: [email protected].
  • 8. Commonwealth Scientific and Industrial Research Organization, Biomedical Manufacturing, Clayton, Victoria, 3168, Australia. Electronic address: [email protected].
  • 9. Institute for Biomedicine and Glycomics, Griffith University, Nathan, Queensland, 4111, Australia. Electronic address: [email protected].
Abstract

To achieve malaria eradication, new preventative agents that act differently to front-line treatment drugs are needed. To identify potential chemoprevention starting points we screened a sub-set of the CSIRO Australia Compound Collection for compounds with slow-action in vitro activity against Plasmodium falciparum. This work identified N,N-dialkyl-5-alkylsulfonyl-1,3,4-oxadiazol-2-amines as a new antiplasmodial chemotype (e.g., 1 96 h IC50 550 nM; 3 96 h IC50 160 nM) with a different action to delayed-death slow-action drugs. A series of analogues were synthesized from thiotetrazoles and carbomoyl derivatives using Huisgen 1,3,4-oxadiazole synthesis followed by oxidation of the resultant thioethers to target sulfones. Structure activity relationship analysis of analogues identified compounds with potent and selective in vitro activity against drug-sensitive and multi-drug resistant Plasmodium parasites (e.g., 31 and 32 96 h IC50 <40 nM; SI > 2500). Subsequent studies in mice with compound 1, which had the best microsomal stability of the compounds assessed (T1/2 >255 min), demonstrated rapid clearance and poor oral in vivo efficacy in a P. berghei murine malaria model. These data indicate that while N,N-dialkyl-5-alkylsulfonyl-1,3,4-oxadiazol-2-amines are a novel class of slow-acting antiplasmodial agents, the further development of this chemotype for malaria chemoprophylaxis will require pharmacokinetic profile improvements.

Keywords
Antimalarial drug discovery; P. falciparum 1,3,4-oxadiazoles; malaria.
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