Delivering highly diverse coverage of drug-like chemical space in a single library

A new highly diverse library of screening compounds is designed to maximize efficiency and productivity for researchers in early phase small molecule drug discovery.

By delivering exceptionally diverse coverage of the space spanned by all possible drug-like molecules and associated characteristics, the Maybridge HitCreator library provides a greater hit probability than larger, but less diverse, screening libraries.

The Maybridge HitCreator library consists of 14,000 screening compounds selected for maximum diversity by rigorous analysis of more than 500,000 commercially available screening compounds. Each Maybridge HitCreator diversity library is conveniently available off the shelf and supplied as dry films in Thermo Scientific Matrix 96 shallow-well plates or 384-well microplates.

“Diversity-based screening is a vital tool for discovering new molecules that could potentially influence drug discovery. However, the wide range of commercially available screening libraries is daunting for scientists to pick the ideal library for their specific requirements,” said Simon Pearce, product marketing manager, Global Chemicals, Thermo Fisher Scientific. “Our new Maybridge HitCreator library simplifies this challenge through its exceptional diversity. It removed the need to choose between different libraries and covers all drug-like chemical space to provide cost effective hit reliability from a single library.”

Building on more than 50 years in designing proven libraries, all compounds within the Maybridge HitCreator are meticulously selected for a high hit probability. All are drug-like and conform to Lipinski’s “Rule of Five”, ensuring they possess key physicochemical properties frequently found in orally active drugs, as well as additional filters. These include optimization to ensure a drug can readily permeate cells, therefore HitCreator compounds are selected to have a Polar Surface Area (PSA) of ≤ 140Ų. In addition, all compounds have been screened to remove inappropriate chemical structures, reducing the chance of “false hits.” 

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