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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P61073
UPID:
CXCR4_HUMAN
Alternative names:
FB22; Fusin; HM89; LCR1; Leukocyte-derived seven transmembrane domain receptor; Lipopolysaccharide-associated protein 3; NPYRL; Stromal cell-derived factor 1 receptor
Alternative UPACC:
P61073; B2R5N0; O60835; P30991; P56438; Q53S69; Q9BXA0; Q9UKN2
Background:
C-X-C chemokine receptor type 4 (CXCR4), also known by alternative names such as Fusin and Stromal cell-derived factor 1 receptor, plays a pivotal role in various physiological processes. It functions as a receptor for the chemokine CXCL12/SDF-1, facilitating signal transduction that enhances intracellular calcium levels and MAPK activation. CXCR4 is involved in cell migration, hematopoiesis, cardiac development, and CNS functions, including hippocampal neuron survival. It also acts as a coreceptor for HIV-1 and HIV-2, mediating virus fusion and infection.
Therapeutic significance:
The involvement of CXCR4 in WHIM syndrome 1, characterized by neutropenia and hypogammaglobulinemia, underscores its therapeutic significance. Targeting CXCR4 could offer novel treatment avenues for managing WHIM syndrome and potentially other conditions linked to CXCR4 dysfunction. Understanding the role of CXCR4 could open doors to potential therapeutic strategies.