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.
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
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96KP1
UPID:
EXOC2_HUMAN
Alternative names:
Exocyst complex component Sec5
Alternative UPACC:
Q96KP1; B2RBE6; Q5JPC8; Q96AN6; Q9NUZ8; Q9UJM7
Background:
Exocyst complex component 2, also known as Sec5, plays a crucial role in cellular processes as a part of the exocyst complex, facilitating the docking of exocytic vesicles with the plasma membrane. This protein's involvement in vesicle transport underscores its importance in cellular communication and cargo delivery.
Therapeutic significance:
Linked to the neurodevelopmental disorder with dysmorphic facies and cerebellar hypoplasia, understanding the role of Exocyst complex component 2 could open doors to potential therapeutic strategies. Its genetic variants highlight a direct pathway to addressing developmental and neurological abnormalities.