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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BW62
UPID:
KATL1_HUMAN
Alternative names:
p60 katanin-like 1
Alternative UPACC:
Q9BW62; A8K5X4
Background:
Katanin p60 ATPase-containing subunit A-like 1, also known as p60 katanin-like 1, plays a pivotal role in regulating microtubule dynamics within Sertoli cells. This regulation is crucial for spermiogenesis and, consequently, male fertility. The protein exhibits ATP-dependent microtubule-severing activity, facilitating the rapid reorganization of cellular microtubule arrays, essential for cellular function and structure.
Therapeutic significance:
Understanding the role of Katanin p60 ATPase-containing subunit A-like 1 could open doors to potential therapeutic strategies. Its critical function in spermiogenesis highlights its potential as a target for addressing male infertility issues.