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Apoptosis Focused Library

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Apoptosis Focused Library

ChemDiv’s Apoptosis Focused Library contains 47,566 compounds

Aberrant apoptosis has been experimentally implicated in a wide range of diseases, including AIDS, allograft rejection, restenosis, autoimmune disorders (such as lupus, diabetes, and rheumatoid arthritis), cancer, heart failure, infectious diseases, inflammation syndrome, osteoporosis, injuries, stroke, and neurodegenerative disorders, especially Alzheimer’s, Parkinson’s, Huntington’s diseases, and ALS. Therefore, there is considerable interest in developing therapeutic strategies focused on apoptosis regulation with therapeutic agents. Dysregulated apoptosis plays a central role in the onset and progression of diseases, presenting a unifying target for potential intervention. The complexity of the apoptotic pathways offers multiple potential targets for drug action, from initiating signals to final execution phases. Hence, the exploration and development of apoptosis-modulating agents hold significant promise for a broad spectrum of therapeutic applications.

Given the extensive complexity of apoptotic mechanisms, a significant number of protein targets involved in those pathways have already been identified, with a high likelihood of discovering more in the near future. Intriguingly, the therapeutic goal varies depending on the pathological context: in the treatment of some disorders, the preservation of cell viability is desired, necessitating the discovery of anti-apoptotic treatments. At the same time, therapy of different types of diseases aims to identify pro-apoptotic agents that induce cell death in pathologically resistant cells. ChemDiv’s compound collection is strategically categorized to align with those therapeutic objectives, offering compounds specifically designed for either pro-apoptotic or anti-apoptotic purposes. This targeted approach facilitates the exploration and development of potential treatments tailored to diverse pathological conditions involving aberrant apoptosis.

Within our Targeted Diversity Set of focused drug-like libraries, tailored to apoptotic targets and comprising approximately 20,000 compounds, you will find:

The “Recognition Motifs” Library, which contains peptidomimetics designed for the inhibition of protein-protein interactions (~ 10,000 compounds).

The Serendipity Library, a collection of lead-like fragments (Rule of 3 compliant) and natural or natural-like compounds (~ 5,000 entries).

The Annotated Sub-Library, based on stem cores or privileged substructures. This subset is specifically focused against orthogonal targets, including GPCRs and Ion Channels (~ 5,000 compounds).

This diverse array of libraries provides a comprehensive resource for drug discovery, offering a wide range of compounds specifically designed to target various links of apoptotic pathways and beyond.

In addition, this library contained 30 target-specific sub-libraries of 250–750 entries with the following types of activities:

● Caspase-3(8,9) inhibitors

● Death-associated protein kinase (DAPK) inhibitors 

● Nerve Growth Factor Receptor LNGFRp75 antagonists

● Macrophage migration inhibitory factor (MIF) modulators 

● Cytochrome C inhibitors

● Mitochondria MPP-pores inhibitors 

● Phosphatase inhibitors

The compound selection process for the apoptosis-focused collection involves identifying prototype compounds from patent and research literature, followed by bioisosteric replacement strategies where known small peptide ligands are substituted with heterocyclic peptidomimetics. Subsequently, a similarity search within our own collection is performed to augment the rational library. Additional techniques used for selection include computer-assisted 3-D pharmacophore matching and the new heterocyclic chemotype synthesis, whose functionality mimics known active “warheads.” In some cases, the proof of concept has been validated with in-house biological data.

Every effort is made to ensure that the compounds in our collection have high intellectual property potential. In order to find out, we use Bielstein and SciFinder substructure searches, which produce just a few similar hits. This makes our compounds more unique with high patentability potential.

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