Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UHC1
UPID:
MLH3_HUMAN
Alternative names:
MutL protein homolog 3
Alternative UPACC:
Q9UHC1; P49751; Q56DK9; Q9P292; Q9UHC0
Background:
DNA mismatch repair protein Mlh3, also known as MutL protein homolog 3, plays a crucial role in the repair of mismatches in DNA, ensuring genomic stability and fidelity. Its involvement in the cellular mechanisms that correct DNA replication errors is fundamental for preventing mutations that could lead to cancer.
Therapeutic significance:
The protein is directly associated with Hereditary non-polyposis colorectal cancer 7 (HNPCC) and Colorectal cancer, highlighting its critical role in cancer susceptibility. Understanding the role of DNA mismatch repair protein Mlh3 could open doors to potential therapeutic strategies, especially in targeting the genetic underpinnings of colorectal cancer and improving early detection and treatment options.