High Fidelity Fragment Library

Fragment screening technology can provide a large number of targets, which is also one of the fastest and most effective methods for drug discovery. However, a series of steps involved in ‘hit-to-lead’ optimization stage can be difficult and time-consuming sometimes and a lot of resources are required. More time and economic costs are increased when a large number of false positives are delivered.

BOC Sciences has designed a novel High Fidelity Fragment Library specifically for the quality of decision-making when evaluating hits. Our High Fidelity Fragment Library possesses high medchem tractability which allows for researchers to grow potential hits.

Library Design

We employ a relative complex iterative method to design our High Fidelity Fragment Library：

• First, in order to filter the molecules in the fragment library, a variety of filters commonly used in the industry are applied, including PAINS, etc
• Second, clustering algorithms and manual review of the identified clusters are used to select the most representative structure within each cluster
• Then, all compounds are tested for solubility in water and aggregation by laser turbidimetry to remove compounds with solubility problems
• The resulting fragment set is tested in a clean SPR screen to exclude SPR ‘sticky’ compounds

Figure 1. A 200 bp fragment library was prepared using standard Illumina conditions, and with more optimal PCR conditions. (Quail, M. A.; et al. 2008)

High Fidelity Fragment Library Characteristics

At BOC Sciences, our High Fidelity Fragment Library contains more than 1,900 fragments, which is a reliable source of high-quality fragments. We cooperate with leading experts in the field of FBDD to design and supply top-level fragment libraries, aiming to meet different requirement of each client.

Table1. The summary of the BOC Sciences High Fidelity Fragment Library characteristics

Features of High Fidelity Fragment Library

• We design a High Fidelity Fragment Library for FBDD which is mainly guided by the well-known Rule of Three
• Multiple filtering criteria (physical and chemical filters) are applied to BOC Sciences General Fragment Library to deliver our unique High Fidelity Fragment Library
• High medical chemistry tractability

Structure review and selection are performed by our FBDD expert teams

• High quality

All compounds have passed the turbidity evaluation to ensure high solubility in water at 1 mM

All aggregators are filtered out successfully

• Optimal molecular properties

All compounds containing 9-16 heavy atoms, medium complexity, and appropriate physical, chemical and shape characteristics

• All compounds can be used for cherry-picking

What We Deliver

• Delivered within 2 weeks and is available for prompt delivery in various formats
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of High Fidelity Fragment Library design at competitive prices for global customers. Personalized and customized services of High Fidelity Fragment Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!