Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
W5XKT8
UPID:
SACA6_HUMAN
Alternative names:
BACHELOR-like protein
Alternative UPACC:
W5XKT8; C0H5Y6; Q6UWG3
Background:
Sperm acrosome membrane-associated protein 6, also known as BACHELOR-like protein, plays a crucial role in reproductive biology. It is essential for the fusion of sperm with the egg membrane during fertilization, a pivotal step in the conception process.
Therapeutic significance:
Understanding the role of Sperm acrosome membrane-associated protein 6 could open doors to potential therapeutic strategies. Its critical function in fertilization highlights its potential as a target for addressing infertility issues.