Withaferin A and Withanolide D Analogues with Dual Heat-Shock-Inducing and Cytotoxic Activities: Semisynthesis and Biological Evaluation

J Nat Prod. 2018 Apr 27;81(4):825-837. doi: 10.1021/acs.jnatprod.7b00918. Epub 2018 Mar 14.

Abstract

Withanolides constitute a valuable class of bioactive natural products because some members of the class are known to exhibit cytotoxic activity and also induce a cytoprotective heat-shock response. In order to understand the relationship between their structures and these dual bioactivities of the withanolide scaffold, we obtained 25 analogues of withaferin A (WA) and withanolide D (WD) including 17 new compounds by semisynthesis involving chemical and microbial transformations. Hitherto unknown 16β-hydroxy analogues of WA and WD were prepared by their reaction with triphenylphosphine/iodine, providing unexpected 5β-hydroxy-6α-iodo analogues (iodohydrins) followed by microbial biotransformation with Cunninghamella echinulata and base-catalyzed cyclization of the resulting 16β-hydroxy iodohydrins. Evaluation of these 25 withanolide analogues for their cytotoxicity and heat-shock-inducing activity (HSA) confirmed the known structure-activity relationships for WA-type withanolides and revealed that WD analogues were less active in both assays compared to their corresponding WA analogues. The 5β,6β-epoxide moiety of withanolides contributed to their cytotoxicity but not HSA. Introduction of a 16β-OAc group to 4,27-di- O-acetyl-WA enhanced cytotoxicity and decreased HSA, whereas introduction of the same group to 4- O-acetyl-WD decreased both activities.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biological Products / pharmacology*
  • Cell Line
  • Cell Line, Tumor
  • Cytotoxins / pharmacology*
  • HEK293 Cells
  • Heat-Shock Response / drug effects*
  • Humans
  • Iodine / metabolism
  • Organophosphorus Compounds / metabolism
  • Sarcoma, Ewing / drug therapy
  • Structure-Activity Relationship
  • Withanolides / pharmacology*

Substances

  • Biological Products
  • Cytotoxins
  • Organophosphorus Compounds
  • Withanolides
  • triphenylphosphine
  • withanolide D
  • Iodine
  • withaferin A