Focused On-demand Library for Complement component C8 alpha chain

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P07357

UPID:

CO8A_HUMAN

Alternative names:

Complement component 8 subunit alpha

Alternative UPACC:

P07357; A2RUI4; A2RUI5; Q13668; Q9H130

Background:

The Complement component C8 alpha chain, also known as Complement component 8 subunit alpha, is a crucial part of the membrane attack complex (MAC). This complex plays a pivotal role in both innate and adaptive immunity by forming pores in the plasma membrane of target cells, leading to cell lysis. The C8A subunit, encoded by the gene with accession number P07357, is essential for inserting into the target membrane, although it does not form pores by itself.

Therapeutic significance:

Complement component 8 deficiency, 1, a rare disease linked to this protein, results in increased susceptibility to severe recurrent infections, especially by Neisseria species. Understanding the role of Complement component C8 alpha chain could open doors to potential therapeutic strategies for enhancing immune response and preventing these infections.