Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P06400
UPID:
RB_HUMAN
Alternative names:
p105-Rb; p110-RB1; pRb; pp110
Alternative UPACC:
P06400; A8K5E3; P78499; Q5VW46; Q8IZL4
Background:
The Retinoblastoma-associated protein, known as pRb, plays a pivotal role in cell cycle regulation, specifically the G1/S transition. It functions as a tumor suppressor by inhibiting E2F-responsive genes, crucial for DNA replication and cell division. pRb's activity is modulated through phosphorylation, with its hypophosphorylated form repressing gene transcription by binding to E2F transcription regulators and recruiting chromatin-modifying enzymes. Additionally, pRb contributes to heterochromatin formation and chromatin structure maintenance, highlighting its significance in genomic stability.
Therapeutic significance:
pRb's dysfunction is linked to several malignancies, including retinoblastoma, bladder cancer, and osteogenic sarcoma. Its role in the cell cycle and tumor suppression makes it a critical target for cancer therapy. Understanding the mechanisms of pRb's action and its disruption in cancer can lead to innovative therapeutic strategies, potentially offering new avenues for treatment of these diseases.