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- W42243354 abstract "Introduction. Basal-like breast cancer has the poorest prognosis of all known breast cancer subtypes and there are no effective targeted treatment agents currently available. Secretory pathway calcium ATPase (SPCA) has been found to relate to tumour growth in basal-like breast cancer and may be a potential drug target. Aims. To design and test novel chemical compounds that will inhibit SPCA. Methods. In silico molecular modelling was used to generate an SPCA model based on its 1d isoform, and four potential drug binding sites were found. This was followed by a rational drug design process and compounds selected on predicted binding affinity were tested via fluorometric imaging plate reader (FLIPR) to measure intracellular calcium level in the MDA-MB-231 cell line. A similar process was used to design a compound inhibiting sarcoplasmic/endoplasmic reticulum calcium ATPase (SERCA). Results. One of the compounds tested in the basal-like breast cancer cells might be a weak SPCA inhibitor. The compound designed to target SPCA1d demonstrated modest effects on intracellular calcium compared to the control compound cyclopiazonic acid (CPA). A second compound designed to target SERCA also showed minimal effects when compared to CPA. Discussion. Two novel compounds were designed and tested in the breast cancer cell line. The results obtained from FLIPR indicated that both compounds were likely weak inhibitors of both SPCA1d and SERCA. To improve the activity of SPCA1 inhibitors, it may be necessary to use similar core structural motifs present in CPA." @default.
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- W42243354 date "2013-01-01" @default.
- W42243354 modified "2023-09-24" @default.
- W42243354 title "Design and testing of novel anti-cancer agents targeting secretory pathway calcium ATPase" @default.
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