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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
P21579
UPID:
SYT1_HUMAN
Alternative names:
Synaptotagmin I; p65
Alternative UPACC:
P21579; Q6AI31
Background:
Synaptotagmin-1, also known as p65, is a pivotal calcium sensor involved in neurotransmitter release at synapses. It binds acidic phospholipids and interacts with proteins such as neurexins, syntaxin, and AP2, playing a crucial role in synaptic vesicle trafficking and dendrite formation by melanocytes.
Therapeutic significance:
Linked to Baker-Gordon syndrome, a neurodevelopmental disorder, Synaptotagmin-1's study could lead to novel therapeutic approaches for managing its associated symptoms and improving patient outcomes.