Focused On-demand Library for Transcriptional coactivator YAP1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P46937

UPID:

YAP1_HUMAN

Alternative names:

Protein yorkie homolog; Yes-associated protein YAP65 homolog

Alternative UPACC:

P46937; B4DTY1; B7ZA01; E3WEB5; E3WEB6; E9PRV2; F5H202; K0KQ18; K0KYZ8; K0L195; K0L1G3; Q7Z574; Q8IUY9

Background:

Transcriptional coactivator YAP1, also known as Protein yorkie homolog and Yes-associated protein YAP65 homolog, is a pivotal regulator in the Hippo signaling pathway. This pathway is essential for organ size control, tumor suppression, and apoptosis promotion by restricting proliferation. YAP1's role extends to tissue tension regulation and cell proliferation control in response to cell contact, highlighting its significance in cellular processes.

Therapeutic significance:

YAP1's involvement in the disease 'Coloboma, ocular, with or without hearing impairment, cleft lip/palate, and/or impaired intellectual development' underscores its potential as a therapeutic target. Understanding the role of YAP1 could open doors to potential therapeutic strategies for this autosomal dominant disease, offering hope for patients with considerable variability in symptoms.