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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P00746
UPID:
CFAD_HUMAN
Alternative names:
Adipsin; C3 convertase activator; Properdin factor D
Alternative UPACC:
P00746; B4DV76; Q5U5S1; Q86VJ5; Q8N4E0; Q8WZB4
Background:
Complement factor D, also known as adipsin, plays a crucial role in the immune system by activating the C3 convertase of the alternate pathway. This activation is pivotal for the cleavage of factor B when complexed with C3b, mirroring the function of C1s in the classical pathway.
Therapeutic significance:
Complement factor D deficiency leads to increased susceptibility to bacterial infections, especially Neisseria, due to a defect in the alternative complement pathway. This highlights the protein's potential as a target for therapeutic interventions in immunologic disorders.