Single Pharmacophore Fragments

In the absence of structural information about the target, scientists have turned to search for new molecular scaffolds with pharmacophores. Fragment space has proven to be an invaluable source of molecular structures in de novo designs that possess diverse properties. In addition, they provide an easy way to formulate the desired chemical space. Fragments with a single pharmacophore (ie, a polar group or other moiety for binding to proteins) have been demonstrated to have advantages over those with multiple, distally separated functional groups. This unique design approach can maximize the benefits of fragment-based drug discovery (FBDD) by increasing the synthetic abilities of fragment growth. BOC Sciences creates a library of single pharmacophore fragments that can generate new chemical entities by randomly constructing novel molecules from fragment space with three-dimensional pharmacophore.

Application of Single Pharmacophore Fragments

• Screen for targets with specific activity
• Analyze protein-ligand interactions

Figure 1. The pharmacophore models generated using the LigandScout’s automatic pharmacophore generation algorithm. (Minovski, N.; et al. 2013)

Single Pharmacophore Fragments Characteristics

At BOC Sciences, the well-established library consist of more than 1,500 compounds 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 different requirement of each client.

Table1. The summary of the BOC Sciences Single Pharmacophore Fragments characteristics

Features of Single Pharmacophore Fragments

• No PAINS, REOS or toxic substances/unwanted functions: filtered by strict ‘ Ro2-like’ physicochemical and most stringent in-house structural filters
• Fragment molecules in our library possess high variety of both pharmacophores and scaffolds
• Support a rapid follow-up fragment growth using both readily available in-stock and synthetic analogs
• Cherry picking service is available

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 Single Pharmacophore Fragments design at competitive prices for global customers. Personalized and customized services of Single Pharmacophore Fragments 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!