Thermo Fisher Scientific has expanded its Maybridge Rule of Three (Ro3) Diversity Fragment Library to make it an even more powerful tool for structure-based drug discovery applications.
The new library adds 1,000 Ro3-compliant molecules, complementing the 1,500 compounds introduced last year.
This expansion increases the diversity of the library by more than 30 per cent for a higher number of singletons and clusters.
This expansion and future enhancements are available to Maybridge Ro3 Diversity Fragment Library users at reduced upgrade fees.
The expanded library enables a range of drug discovery programmes and is designed to support recent advancements - such as surface plasmon resonance (SPR) - that have increased the feasibility of screening larger numbers of compounds.
In addition, the library's greater diversity will improve the number and quality of candidate-molecule hits, leading to more cost-effective screening.
The latest Maybridge Ro3 Diversity Fragment Library features full Ro3 compliance; all compounds in the library, both new and old, exhibit physicochemical properties that increase the probability of obtaining successful hits.
The portfolio also includes analogues for fragment hopping, hit evolution and derivatisation.
Consequently, these Maybridge fragments provide a starting point for lead selection and optimisation as part of a structure-based drug discovery programme.
The solubility of every fragment in the library has been experimentally measured to ensure that each is soluble in both DMSO (200mM) and aqueous phosphate buffer (1mM).
According to the company, this is essential for successful in-vitro testing because poor solubility compromises the robustness of the screening data generated and can produce evolved analogues with inferior ADME properties (plasma protein binding and poor systemic distribution), which can lead to increased candidate attrition.
As with the original library compounds, the new fragments have a purity of at least 95 per cent.
