Abstract
Mimetics of the second mitochondria-derived activator of caspases (Smac) increase the sensitivity of tumor cells towards chemotherapeutics in cancer therapy [1]. Our aim was the discovery of naturally derived small molecule Smac-mimetics from the medicinal plant Eriobotrya japonica Lindl. (Rosaceae), which is known to contain cytotoxic constituents [2]. Using a previously generated and validated pharmacophore model [3] 122 3D-molecules (ERIO-database) of known constituents from the leaves of E. japonica were subjected to virtual screening. We focused on acylated flavonol monorhamnosides (AFMR) as promising phytochemical class due to the statistical evaluation of the virtual hits. AFMR were identified in the methanol extract by LC-MS and enriched by different chromatographic methods. In the Nicoletti test [4], the combination of the AFMR-mixture with sub-optimal concentrations of the chemotherapeutic etoposide strongly induced cell death in S-Jurkat and XIAP overexpressing Jurkat cells. Since the AFMR-mixture was not separable by conventional methods, we used an HPLC-SPE-NMR approach for the structural identification of single compounds. The combination of the in silico and HPLC-SPE-NMR techniques enabled the insight into ligand-target interactions of single compounds from a complex mixture.
Highlights
Scientia Pharmaceutica an Open Access Journal by MDPIThe Austrian Pharmaceutical Society (ÖPhG) is affiliated with Scientia Pharmaceutica
The journal publishes high standard papers submitted by researchers of the respective and neighboured disciplines, allowing a broad overview, including nutritional sciences, hospital pharmacy, history of pharmacy, etc
Rapid Publication Accepted papers are immediately published online No Space Constraints, No Extra Space or Color Charges No restriction on the length of the papers, number of figures or colors High Visibility Coverage by Leading Indexing Services Emerging Sources Citation Index (ESCI - Web of Science), PubMed (NLM), Scopus, EMBASE (Elsevier), CAS Chemical Abstracts (ACS) and other databases
Summary
The Austrian Pharmaceutical Society (ÖPhG) is affiliated with Scientia Pharmaceutica. Message from the Editor-in-Chief Scientia Pharmaceutica is a unique journal offering insight into the diverse fields of Pharmaceutical Sciences. One advantage of Scientia Pharmaceutica is that it covers a very wide scope, starting from pharmacobotany and pharmacognosy/pharmaceutical biology, through natural products/pharmaceutical/medicinal chemistry, analytics, pharmacology and pharmaceutical technology/drug development, to clinical studies and the practice of pharmacy. The journal publishes high standard papers submitted by researchers of the respective and neighboured disciplines, allowing a broad overview, including nutritional sciences, hospital pharmacy, history of pharmacy, etc.
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