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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NDW8
UPID:
TT21A_HUMAN
Alternative names:
Stress-inducible protein 2
Alternative UPACC:
Q8NDW8; A1L388; B4DYF6; B4DYJ3; D3YTE7; D4PHA5; Q6P5W8; Q8N7G5; Q8NA02
Background:
Tetratricopeptide repeat protein 21A, also known as Stress-inducible protein 2, plays a crucial role in spermatogenesis. It is essential for sperm flagellar formation and intraflagellar transport, facilitating the movement and structural integrity of sperm cells.
Therapeutic significance:
Spermatogenic failure 37, a disorder marked by asthenoteratozoospermia, is directly linked to mutations in the gene encoding this protein. Understanding the role of Tetratricopeptide repeat protein 21A could open doors to potential therapeutic strategies for treating infertility.