Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
Our top-notch dedicated system is used to design specialised libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
P51681
UPID:
CCR5_HUMAN
Alternative names:
CHEMR13; HIV-1 fusion coreceptor
Alternative UPACC:
P51681; O14692; O14693; O14695; O14696; O14697; O14698; O14699; O14700; O14701; O14702; O14703; O14704; O14705; O14706; O14707; O14708; O15538; Q9UPA4
Background:
C-C chemokine receptor type 5 (CCR5) plays a pivotal role in mediating the response to inflammatory CC-chemokines such as CCL3/MIP-1-alpha, CCL4/MIP-1-beta, and RANTES, enhancing intracellular calcium ion levels. It is crucial in granulocytic lineage proliferation or differentiation and facilitates T-lymphocyte migration to infection sites.
Therapeutic significance:
CCR5's involvement in Type 1 diabetes mellitus 22, through gene variants affecting its expression, highlights its potential as a therapeutic target. Moreover, as a coreceptor for HIV-1, targeting CCR5 could lead to innovative treatments for HIV-1 infection, emphasizing its therapeutic significance.