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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
We employ our advanced, specialised process to create 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BXF9
UPID:
TEKT3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BXF9; B2RAS7; D3DTT0; Q8N5R5; Q96M48
Background:
Tektin-3, a microtubule inner protein, plays a pivotal role in the structure and function of cilia and flagella, essential for cell motility. It forms filamentous polymers within the walls of ciliary and flagellar microtubules, crucial for the proper movement of cells, including spermatozoa. This protein's significance is underscored by its involvement in the dynein-decorated doublet microtubules, highlighting its integral role in cellular dynamics.
Therapeutic significance:
Tektin-3's association with Spermatogenic failure 81, a condition marked by compromised sperm motility and structural anomalies, underscores its therapeutic potential. Understanding Tektin-3's role could pave the way for innovative treatments targeting male infertility, particularly oligoasthenoteratozoospermia. The protein's critical function in sperm mobility offers a promising avenue for developing interventions aimed at enhancing reproductive health.