Focused On-demand Library for Cilia- and flagella-associated protein 91

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

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

Q7Z4T9

UPID:

CFA91_HUMAN

Alternative names:

AMY-1-associating protein expressed in testis 1; MYCBP/AMY-1-associated testis-expressed protein 1; Protein MAATS1

Alternative UPACC:

Q7Z4T9; A0AVK2; A8K1J9; B3KP23; B4DG52; B4DZ14; C9JUG4; Q68DX2; Q8TD41; Q96A45; Q96JE8

Background:

Cilia- and flagella-associated protein 91, also known as AMY-1-associating protein expressed in testis 1, plays a crucial role in sperm flagellum axonemal organization and function. It is pivotal in regulating cilium motility, contributing to the assembly of the axonemal radial spokes. This protein's involvement in such a fundamental aspect of cell biology underscores its importance in cellular structure and movement.

Therapeutic significance:

Given its critical role in sperm motility and structure, Cilia- and flagella-associated protein 91 is directly linked to Spermatogenic failure 51, a disorder leading to infertility due to sperm abnormalities. Understanding the role of this protein could open doors to potential therapeutic strategies for treating infertility issues related to sperm motility and morphology.