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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8N427
UPID:
TXND3_HUMAN
Alternative names:
NM23-H8; NME/NM23 family member 8; Spermatid-specific thioredoxin-2
Alternative UPACC:
Q8N427; Q9NZH1
Background:
Thioredoxin domain-containing protein 3, also known as NM23-H8, NME/NM23 family member 8, or Spermatid-specific thioredoxin-2, plays a crucial role in sperm tail maturation. It is involved in the reduction of disulfide bonds within the sperm fibrous sheath, indicating its importance in reproductive biology.
Therapeutic significance:
Linked to Primary Ciliary Dyskinesia, particularly variant 6, this protein's dysfunction leads to respiratory and fertility issues. Understanding its role could unveil new therapeutic strategies for treating such genetic disorders.