Focused On-demand Library for RWD domain-containing protein 3

Focused On-demand Libraries - Reaxense Collaboration

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9Y3V2

UPID:

RWDD3_HUMAN

Alternative names:

RWD domain-containing sumoylation enhancer

Alternative UPACC:

Q9Y3V2; A6NP44; A8K9F0; C9J9L7; C9JI45; Q08AJ7; Q6FID3; Q9BX35

Background:

RWD domain-containing protein 3, also known as a RWD domain-containing sumoylation enhancer, plays a pivotal role in cellular processes by enhancing SUMO conjugation. It interacts with UBE2I/UBC9, facilitating the sumoylation of key proteins such as HIF1A, PIAS, NFKBIA, NR3C1, and TOP1. This protein is instrumental in regulating the NF-kappa-B signaling pathway and the hypoxia-inducible factor-1 alpha (HIF1A) signaling pathway, impacting transcriptional activity and gene expression.

Therapeutic significance:

Understanding the role of RWD domain-containing protein 3 could open doors to potential therapeutic strategies. Its involvement in crucial signaling pathways suggests its potential as a target in diseases where these pathways are dysregulated.