Focused On-demand Library for Collagen alpha-1(I) chain

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P02452

UPID:

CO1A1_HUMAN

Alternative names:

Alpha-1 type I collagen

Alternative UPACC:

P02452; O76045; P78441; Q13896; Q13902; Q13903; Q14037; Q14992; Q15176; Q15201; Q16050; Q59F64; Q7KZ30; Q7KZ34; Q8IVI5; Q8N473; Q9UML6; Q9UMM7

Background:

Collagen alpha-1(I) chain, also known as Alpha-1 type I collagen, plays a pivotal role in the structure of extracellular matrix, forming the essential component of connective tissues. It is a member of group I collagen, known for its fibrillar forming capability, crucial for maintaining the integrity and function of various tissues.

Therapeutic significance:

Mutations in the gene encoding Collagen alpha-1(I) chain are linked to a spectrum of connective tissue disorders, including Caffey disease, multiple forms of Ehlers-Danlos syndrome, and various types of Osteogenesis Imperfecta. These associations underscore the protein's critical role in tissue resilience and mechanical properties, making it a target for therapeutic interventions aimed at ameliorating these debilitating conditions.