Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q07820
UPID:
MCL1_HUMAN
Alternative names:
Bcl-2-like protein 3; Bcl-2-related protein EAT/mcl1; mcl1/EAT
Alternative UPACC:
Q07820; B2R6B2; D3DV03; D3DV04; Q9HD91; Q9NRQ3; Q9NRQ4; Q9UHR7; Q9UHR8; Q9UHR9; Q9UNJ1
Background:
Induced myeloid leukemia cell differentiation protein Mcl-1, known as Mcl-1, plays a pivotal role in cell survival and apoptosis. It exists in multiple isoforms, with Isoform 1 inhibiting apoptosis and Isoform 2 promoting it. This protein's ability to interact with various apoptosis regulators underscores its importance in cellular viability.
Therapeutic significance:
Understanding the role of Mcl-1 could open doors to potential therapeutic strategies. Its involvement in the delicate balance between cell death and survival makes it a critical target for cancer research, aiming to manipulate these pathways for therapeutic benefit.