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Whether you are starting a compound screening campaign or pursuing follow-up discovery chemistry, our chemogenomically-designed compound libraries and design tools accelerate the early stages of drug discovery. Our dynamic compound collections are constantly evolving to encompass novel, information rich libraries, designed using up to date structural and biological information. We specialize in libraries that target kinases, ion channels and GPCRs with demonstrated success in discovery programs – resulting in the rapid progression to optimized lead candidates. We also synthesize compound libraries on an exclusive basis for clients using either BioFocus DPI’s or a client’s design. In addition to our libraries, we offer the same proprietary software tools used in library design to aid in the rapid follow-up of hit series.
Our focused libraries are designed to modulate biological targets and offer superior hit rates as compared to other screening compound collections.
SoftFocus libraries: drug–like molecules that adhere to “Lipinski rules”; includes collections that target GPCR, kinase and ion channels. This collection also includes our newest and fastest selling libraries - the Azetidine and C-Nucleoside collections – which are based on novel cores of biological interest.
ThemePair libraries: designed lead-like molecules. Compounds in this collection are suitable for conventional screening, high concentration screening as well as screening by NMR and X-ray. These compounds offer significant opportunity to build upon the molecular weight to maximize potency, selectivity and optimize the pharmacokinetic profile.
FieldFocus libraries: this biologically-targeted library design builds upon BioFocus DPI’s proven success in designing high efficiency lead-finding libraries. These libraries are designed using Cresset’s proprietary molecular field technology which provides what can be described as a “protein’s-eye view” of ligands and substrates.
In addition to having higher selectivity and potency, compounds from our libraries have these advantages:
• Offered on a semi-exclusive basis
• Rated highest based on novelty, purity and drug-like properties*
• Guaranteed re-supply
• Synthetic protocols available
• Proven to speed-up drug discovery timelines
* based on independent study, J. Chem. Inf. Comp. Sci 44(2) 643 (2004)
Exclusive libraries
Using our in-house molecular informatics expertise for library design together with a wide range of synthetic chemistry capabilities, we can design and synthesize high quality compound libraries for primary screening, lead optimization and patent exemplification. Scaffold chemistries can be client sourced or based on our own designs. Our flexible design and synthesis expertise can be used in:
• Primary screening programs
• Hit-to-lead expansion and optimization
• Patent exemplification
• Gap filling in corporate collections
Toolkits
We employ proprietary chemogenomic tools along with X-ray structural information and classical computational tools to design libraries that hit gene families. You can take advantage of these intuitive design tools to progress your discovery programs:
Kinase Toolkit – is an integrated suite of chemoinformatic, bioinformatic, structural and medicinal chemistry technologies and databases. This technology can be applied to drive the kinase inhibitor library design for hit generation as well as for hit-to-lead or lead optimization projects targeting specific kinases.
Thematic Analysis – combines structural, mutagenic and structure-activity information to provide a unique knowledge-based methodology for analyzing receptors and their drug interactions. This tool enables the rational design of libraries and speeds up hit-to-lead development for GPCRs. This predictive knowledge-based technology specifically associates defined topological patterns within families of receptors with key structural features of molecules.
Helical Domain Recognition Analysis – is our unique design technology used for the rational design of compounds that interact with voltage dependent-like ion channels. This approach links X-ray structural data and mutagenesis data with an all channel sequence alignment and known SAR information.
Case studies
BioFocus DPI libraries have been successfully used to find hits in many research programs. Hits obtained are tractable and follow up hit-to-lead and lead optimization work at BioFocus DPI or by our clients has led to more than 36 published patents.
The below illustration indicates the rapidity in which hits obtained from our libraries have been progressed through the research stages by our medicinal chemists.
