Library
2M compounds have been collected and opened for screening.
Criteria for collection of synthetic library
The collected compounds come from two sources: commercial and collaborative collection mainly from research institutes or collaborators in Taiwan. The current library contains mostly small molecular compounds following an extended Lipinski’s rule of five (RO5). RO5 is derived from the analysis of successful compounds in drug discovery and has been adopted as criteria for drug candidate development for medicinal chemistry.
The extended RO5 criteria are:
Partition coefficient logP in ‐0.4 to +5.6 range
Molar refractivity from 40 to 130
Molecular weight from 160 to 500
Number of atoms from 20 to 70 (includes H-bond donors [e.g., H and NH] and H-bond acceptors [e.g.; N and O])
Polar surface area no greater than 140 Ǻ2
Library preparation
The collected compounds were reformatted into wells of 384- and 1536-well plates and were stored at 1 mM in 100% DMSO. The screening concentration is 5~10 uM.
Preset GRC libraries for screening
Probe (9K): a collection of FDA-approved drugs and some bioactive compounds. As a basic set for screening tests.
Library 1 (25K): FDA-approved drugs, bioactive compounds, traditonal Chinese medicine, and natural products.
Library 2 (40K): Library 1 and 20K of compounds from Discovery Diversity Set (Enamine).
Library 3 (120K): Library 1, 60K of compounds from Discovery Diversity Set (Enamine), and 40 K representative molecules from the whole 2M collection.
Customized library: You can build your own from GRC collection. Or screening using 384-well or 96-well plates.
All GRC Collections
Specialized Libraries
Collections were from various companies and contain bioactive inhibitors available in commercial entities. Two libraries (PanLab Fermentation and Depository) are specialized collections in Taiwan.
l Probe (9,035 compounds, ~25% overlapping) (9 plates)
Collections of drug and bioactive compounds libraries from various vendors.
l Bioactive compounds (8,415 compounds)
l Traditional Chinese Medicine-related (2,816 compounds)
l Natural Products Derivatives (9,794 compounds)
l Natural Products II (43,402 compounds): The library contains 37,926 compounds from DNC (derivatives of natural products), 4,164 from RAR (rare derivatives of natural compounds), 1,312 from GNC (genuine natural compounds) libraries from InterBioScreen Ltd.
l PanLab Fermentation (50,000 fermentation broths)
The fermentation broths were obtained from PanLab Inc. In Taiwan. The collections are ethyl acetate extracts from 12,500 microbes fermented in four media. A good source for identification of new natural products.
l Depository (14,000 unique compounds) (10 plates)
A collection of compounds prepared by chemists in Taiwan. The compound that shows activities will be notified simultaneously to the compound depositor and assay owner.
Synthetic Libraries
Collections were from various companies and considers high diversity and coverage of chemical space between collections. These also contains all the bioactive inhibitors available in the commercial entities. The Lipinsky rule-of-five and addition in-silico medicinal chemistry filters were applied as selection criteria. The overlapping percentage are below 2% across the libraries.
l Discovery Diversity Set (60,000 compounds)
These molecules are collected from Enamine and are built on novel chemistry with the use of the latest achievements in parallel chemistry and following industry trends in molecular properties and structural features.
l Synthetic RE (80,000 compounds)
Representatives of core structures from MAX Synthetic Libraries. A good source for exploring new synthetic compounds for further structure optimization.
l ChemDiv MAX (550,000 compounds)
The compounds were selected from ChemDiv chemistry collection of more than 1 million diverse drug-like molecules.
l LifeChem MAX (285,000 compounds)
The compounds were selected from Life Chemicals collection.
l AMRI MAX (300,000 compounds)
The compounds were selected from AMRI.
l Enamine MAX (300,000 compounds)
The compounds were selected from Enamine.
l Asinex MAX (190,000 compounds)
The compounds were selected from Asinex. The selection contains 100,000 compounds from Platinum, 40,000 from Synergy (rare fragments), and 20,000 compounds from Elite (bioscreening for ADME).
l Chembridge Max (52,226 compounds)
The compounds were selected from ChemBridge.