Nonpeptide Peptidomimetics PPI Library

Peptidomimetics are organic molecules that mimic the action of peptides, which may structurally similar to peptides but are significantly different in terms of their side chains or molecular backbone. Peptidomimetics are molecules that are designed to mimic the structure of a biologically active protein or peptide, and display acceptable pharmacokinetic properties while maintaining the desired biological activity. All peptidomimetics are classified into four categories: Class A and B mimetics are peptides with various alterations to the peptide side chain and backbone. Class C mimetics consist of highly modified structures that completely replace the entire peptide backbone with small molecule characteristics. The central scaffold shows the orientation of the substituents compared to the orientation of key residues in the bioactive conformation of the antecedent peptide. The replacement of the entire peptide backbone leads to the improvement of oral bioavailability and pharmacokinetic properties. Class D mimetics are small-molecule drugs used in classical medicinal chemistry that mimic the mode of action of a biologically active peptide without being directly linked to its side chain function. Peptide mimetics are designed to screen a wide range of targets, preferably in cancer diagnosis and therapy. Their applicability has been tested on different protein model systems, including apoptosis regulators, transmembrane receptors, small GTPases and transcriptional regulators.

Figure 1. Four structural classes of antimicrobial peptides. (Biljana, M.; HaVard, J. 2015)

Library Design

At BOC Sciences, the general rule in design and selection of non-peptide peptidological library is to search for molecules with structural motifs for peptidomimetics:

• Molecules with β- and γ-turns
• Molecules with conformationally constrained amino acids
• Unnatural amino acids (and their derivatives), which can be considered as bio-isosteric analogues of natural amino acids
• Molecules containing non-typically substituted natural amino acids (e.g., CF3, CN, etc.)
• Natural non-proteinogenic amino acids and privileged structure are used as a starting point for further design/selection of analogous derivatives/and chemical development
• Molecules with dipeptide-like portions and cis-configuration of amide bonds

After assembling the database of these prototypes, we have deployed pharmacophore and substructure searches, with additional support of 3D docking to hop the molecules that make up this non-peptidic peptidomic library

More than 10,000 molecules are assembled successfully around about 300 scaffolds

Figure 2. Current peptidomimetic structures with potent antimicrobial activity. (Biljana, M.; HaVard, J. 2015)

Nonpeptide Peptidomimetics PPI Library Characteristics

• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• Bioactivity and safety confirmed by preclinical studies and clinical trials
• Structural diversity, medicinal activity, and cellular penetration
• Structural document, IC₅₀, and other chemical and biological data are provided
• All compounds are continually updated
• All of these compounds with Tanimoto index ≥ 0.85
• Compound cherry-picking service is provided

BOC Sciences’ nonpeptide peptidomimetics PPI library includes a diversity of therapeutically relevant compounds that are carefully selected from our proprietary collection of HTS compounds to meet the parameters listed in the table below.

Table1. The summary of the BOC Sciences Nonpeptide Peptidomimetics PPI Library characteristics

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 and HPLC
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Nonpeptide Peptidomimetics PPI Library design at competitive prices for global customers. Personalized and customized services of Nonpeptide Peptidomimetics PPI 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!