Chelator Fragment Library

Metal chelation provides an important opportunity for drug design which beyond the traditional concept of chelation, that is, metal chelation and elimination. Nowadays, fragment-based lead design (FBLD) has been widely used to identify new metal-binding groups for metalloenzyme inhibitors. The application of FBLD on identifying metal protein targets with medicinal value has been continuously confirmed. Therefore, the careful design and precise synthesis of fragment libraries based on metal chelators is of great interest. BOC Sciences can design Chelator Fragment Library to support the FBLD using metal-chelating moieties which is suitable for the discovery of novel metalloenzyme inhibitors as chelator agents.

Figure 1. Protein-protein interactions (PPI) identification. (Pati, M. L.; et al. 2015)

Main Design Approaches Based on Metal Chelation Principles

BOC Sciences applies four main approaches to construct our Chelator Fragment Library based on metal chelation principles using different metal-binding groups

• Redistribute metals
• Inhibit metalloenzyme function
• Enhance metal reactivity
• Passivate metal reactivity

Chelator Fragment Library Characteristics

At BOC Sciences, our teams have designed a new Chelator Fragment Library containing more than 1,500 drug-like fragments based on the the HTS Compound Collection, which is the largest and most 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 needs of each client.

Table1. The summary of the BOC Sciences Chelator Fragment Library characteristics

Features of Chelator Fragment Library

• No PAINS, REOS or toxic substances/unwanted functions: filtered by previously reported and internally developed pharmaceutical chemical filters
• All compounds are filtered according to an expanded Lipinski’s Rule of Three
• Chelators demonstrate binding affinities suitable for FBLD screening
• Provide a diverse range of molecular platforms from which to develop lead compounds
• The propensity for chelators to bind metal ions allows for better prediction of their probable binding position within a protein active site in the absence of experimental structural data of the complex
• Cherry picking is available
• Support various formatting

What We Deliver

• Delivered within 2 weeks in any customer-preferred format
• 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 Chelator Fragment Library design at competitive prices for global customers. Personalized and customized services of Chelator 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!