Focused On-demand Library for MOB kinase activator 1A

Focused On-demand Libraries - Reaxense Collaboration

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H8S9

UPID:

MOB1A_HUMAN

Alternative names:

Mob1 alpha; Mob1 homolog 1B; Mps one binder kinase activator-like 1B

Alternative UPACC:

Q9H8S9; Q53S34; Q9H3T5; Q9HAI0; Q9NVE2

Background:

MOB kinase activator 1A, also known as Mob1 alpha, Mob1 homolog 1B, and Mps one binder kinase activator-like 1B, is a crucial activator in the Hippo signaling pathway. This pathway is essential for organ size control and tumor suppression, functioning through a kinase cascade that restricts proliferation and promotes apoptosis. It activates LATS1/2, which in turn phosphorylates and inactivates the YAP1 oncoprotein and WWTR1/TAZ, preventing their nuclear translocation and the regulation of genes critical for cell proliferation, death, and migration.

Therapeutic significance:

Understanding the role of MOB kinase activator 1A could open doors to potential therapeutic strategies.