SHANGHAI and BOSTON, Feb. 6, 2018 /PRNewswire/ — LabNetwork, WuXi AppTec's global chemistry eCommerce platform, today launched a new Compound Library Search & Design platform, which provides innovative tools for researchers engaged in screening for new hits in drug discovery, helping drug discovery professionals in the industry and academia worldwide to screen their targets more quickly and efficiently. The platform also gives users access to significant new sources of screening compounds from WuXi AppTec as well as WuXi's vast suite of biology services, including biochemical and cell-based assays, protein production, biophysical hit confirmation and validations by protein crystallography, biophysical and structural processes.
The new online platform allows users to input search parameters by utilizing one of two molecular structure drawing tools provided on the site, or by uploading search data files. Searches can be conducted by substructure or similarity, with filters to limit results violating common lead-like and drug-like parameters, and to limit pan-assay interference compounds (PAINS), which have subversive reactivity that masquerades as drug-like binding and yields false signals across a variety of assays. Six other individual property parameter filters, such as molecular weight, clogP and rotatable bonds, can be used to fine-tune results.
Once a list of desirable molecules is determined, users can download the results, select their favorite supplier and submit an order, or request a quote for synthesis directly on the website.
Searches on the online platform query a vast database of more than 100 million compounds, including 200,000 new WuXi in-stock compounds, 2 million stock compounds from LabNetwork suppliers, and nearly 100 million virtual compounds based on in-stock building blocks and templates.
"LabNetwork's mission is to enable scientists and entrepreneurs anywhere in the world to leverage our platform to conduct their research more efficiently and cost effectively. The new online library compounds platform gives researchers at both large and small institutions the tools to access significant libraries of hundreds of thousands of new compounds and millions of compounds that can be synthesized in short order, leading to better medicines brought to market faster," said Dr. Xuanjia Peng, Head of LabNetwork.
Dr. Rujian Ma, Vice President and Head of WuXi's Chemistry Service Unit, said, "WuXi has drawn on its substantial resources in design and synthesis, along with a broad collection of in-stock building blocks, to bring these 200,000 new compounds to the market and make available the large virtual library of compounds that can be produced and delivered in 4-6 weeks."
For more information about the derivation and enumeration of the new virtual library, the 200,000 new stock compounds or WuXi's biological service offerings, contact john.shirley@.
LabNetwork, a wholly owned subsidiary of WuXi AppTec, is a global eCommerce platform with the vision of connecting suppliers and buyers of research products. Backed by WuXi AppTec's expertise in R&D, sourcing, quality control, warehousing and logistics, LabNetwork brings trusted, novel, and high-quality compounds from WuXi's global network of qualified providers to the chemistry and research communities worldwide. Our mission is to enable scientists and entrepreneurs anywhere in the world to leverage the LabNetwork platform to conduct their research more efficiently and cost effectively.
SOURCE WuXi AppTec