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.
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:
partner
Reaxense
upacc
Q8IYM1
UPID:
SEP12_HUMAN
Alternative names:
-
Alternative UPACC:
Q8IYM1; Q0P6B0; Q1PBH0; Q96LL0
Background:
Septin-12, a filament-forming cytoskeletal GTPase, plays a crucial role in spermatogenesis. It is involved in the morphogenesis of sperm heads and the elongation of sperm tails, associating with alpha- and beta-tubulins. Septin-12 forms a filamentous structure with SEPTIN7, SEPTIN6, SEPTIN2, and SEPTIN4 at the sperm annulus, essential for sperm tail motility and structural integrity.
Therapeutic significance:
Septin-12's dysfunction is linked to Spermatogenic failure 10, characterized by decreased sperm motility, concentration, and structural defects. Understanding the role of Septin-12 could open doors to potential therapeutic strategies for treating infertility disorders.