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Developing a drug-like natural product library.
A natural product library (NPL) is generated in which 85% of the isolated compounds had no Lipinski violations and demonstrates the feasibility of obtaining natural products known for rich chemical diversity with the required physicochemical properties for drug discovery.
Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond
The results reveal the immense potential for translating the dispersed expertise in biological assays involving human pathogens into drug discovery starting points, by providing open access to new families of molecules, and emphasize how a small additional investment made to help acquire and distribute compounds, and sharing the data, can catalyze drug discovery for dozens of different indications.
Direct Screening of Natural Product Extracts Using Mass Spectrometry
A proof-of-concept experiment to show direct affinity screening using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) is a rapid and informative approach for natural product extract screening is described.
Isolation of psammaplin A 11'-sulfate and bisaprasin 11'-sulfate from the marine sponge Aplysinella rhax.
Two compounds isolated from the marine sponge Aplysinella rhax inhibited [(3)H]1,3-dipropyl-8-cyclopentylxanthine binding to rat-brain adenosine A(1) receptors.
Production and secretion of recombinant thaumatin in tobacco hairy root cultures
Thaumatin production compares well with yields from other transgenic plants, so that tobacco hairy roots can be considered an alternative production platform of thaumatin.
Fragment-Based Screening of a Natural Product Library against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry
96 low-molecular-weight natural products are identified as binding partners of 32 of the putative malarial targets and 79 fragments have direct growth inhibition on Plasmodium falciparum at concentrations that are promising for the development of fragment hits against these protein targets.
Cytotoxic cyclic depsipeptides from the Australian marine sponge Neamphius huxleyi.
Three new cyclic depsipeptides, neamphamides B (2), C (3), and D (4), were isolated from the Australian sponge Neamphius huxleyi and inhibited the growth of human cell lines with IC(50) values ranging from 88 to 370 nM.
Chemical investigation of drug-like compounds from the Australian tree, Neolitseadealbata.
Two of the four parameters in the 'rule of five', molecular weight and logP, which can be detected and predicted by mass spectrometry and compound retention on reversed-phase HPLC, were used as
Cytotoxic evaluation of alkaloids and isoflavonoids from the Australian tree Erythrina vespertilio.
A new glucoalkaloid, vespertilioside, together with three known alkaloids, including 11- β-methoxyglucoerysovine, erysotrine, and hypaphorine, were isolated from the fruits of E.vespertilio Benth and showed cytotoxic activities against metastatic prostate cancer cell line and neonatal foreskin fibroblast cell lines.
Lignans from the Australian Endemic Plant Austrobaileya scandens.
The sole species of the vascular plant family Austrobaileyaceae, Austrobaileya scandens, is endemic to the tropical rainforest of northeastern Queensland, Australia. A single lead-like enhanced