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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 high-tech, dedicated method is applied to construct targeted 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
Q96JX3
UPID:
SRAC1_HUMAN
Alternative names:
Serine active site-containing protein 1
Alternative UPACC:
Q96JX3; Q49AT1; Q5VTX3; Q6PKF3
Background:
Protein SERAC1, also known as Serine active site-containing protein 1, is pivotal in phosphatidylglycerol remodeling, crucial for mitochondrial function and intracellular cholesterol trafficking. It is speculated to catalyze the remodeling of phosphatidylglycerol and participate in the transacylation-acylation reaction to produce phosphatidylglycerol-36:1, and may play a role in the bis(monoacylglycerol)phosphate biosynthetic pathway.
Therapeutic significance:
SERAC1's dysfunction is linked to 3-methylglutaconic aciduria with deafness, encephalopathy, and Leigh-like syndrome, a disorder marked by developmental delays, sensorineural deafness, and brain abnormalities. Understanding SERAC1's role could lead to novel therapeutic strategies for this and potentially other mitochondrial and cholesterol trafficking-related diseases.