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.
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.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95486
UPID:
SC24A_HUMAN
Alternative names:
SEC24-related protein A
Alternative UPACC:
O95486; A8MVW3; Q8WUV2; Q96GP7
Background:
Protein transport protein Sec24A, also known as SEC24-related protein A, is a crucial component of the COPII complex, facilitating the formation of transport vesicles from the endoplasmic reticulum (ER) to the Golgi complex. It plays a pivotal role in cargo selection, showing a preference for cargos with specific motifs, indicating its selective nature in protein transport.
Therapeutic significance:
Understanding the role of Protein transport protein Sec24A could open doors to potential therapeutic strategies.