Journal: ACS Omega

Article Title: Fragment Libraries from Large and Novel Synthetic Compounds and Natural Products: A Comparative Chemoinformatic Analysis

doi: 10.1021/acsomega.5c01420

Figure Lengend Snippet: Natural Product Libraries Studied in This Work

Article Snippet: The goal of this study was to analyze the contents, properties, and chemical diversity of fragment libraries obtained from two large natural product libraries (COCONUT 2.0 and the most updated version of LANaPDB), chemical synthesis (CRAFT), and commercial fragment libraries (Enamine, ChemDiv, Maybridge, and Life Chemicals).

Techniques:

Journal: Pharmaceuticals

Article Title: Temperate Zone Plant Natural Products—A Novel Resource for Activity against Tropical Parasitic Diseases

doi: 10.3390/ph14030227

Figure Lengend Snippet: Heatmap of PhytoQuest Phytopure temperate natural product screen against protozoan parasites. In total, 634 compounds were screened against L. mexicana ( L.m ) axenic amastigotes, T. brucei ( T.b ) bloodstream form and P. falciparum ( P.f ) intraerythrocytic trophozoites at 2 μM and T. evansi ( T.e ) bloodstream form parasites at 1 μM. Survival (reported as % of DMSO control) of each parasite cell line is represented as a spectrum from black to light grey (see scale to right), with the black cells reporting hits taken forward in this study. Blank cells indicate where no data were collected for that compound.

Article Snippet: A screen of the PhytoQuest Phytopure temperate plant natural product library revealed a number of promising hit compounds against the kinetoplastid parasites screened ( ).

Techniques: Control

Journal: Pharmaceuticals

Article Title: Temperate Zone Plant Natural Products—A Novel Resource for Activity against Tropical Parasitic Diseases

doi: 10.3390/ph14030227

Figure Lengend Snippet: Comparison of the PhytoQuest Phytopure library hits across the four parasite species investigated. All compounds shown have an EC 50 ≤ 1 μM in the respective species reported here. Compounds reported in black indicates a high selectivity (SI > 20) and/or a low cytotoxicity in HepG2 (CC 50 > 20 μM). Compounds in grey indicates a low selectivity (SI ≤ 20) and/or toxicity in HepG2 (CC 50 ≤ 20 μM).

Article Snippet: A screen of the PhytoQuest Phytopure temperate plant natural product library revealed a number of promising hit compounds against the kinetoplastid parasites screened ( ).

Techniques: Comparison