AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sperm flagellar protein 2

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9C093

UPID:

SPEF2_HUMAN

Alternative names:

Protein KPL2

Alternative UPACC:

Q9C093; Q2TAC9; Q96LL6; Q9H5C7; Q9H5Q7

Background:

Sperm flagellar protein 2, also known as Protein KPL2, plays a pivotal role in male fertility. It is essential for the correct development of the axoneme in spermatozoa, crucial for sperm motility and morphology. This protein is involved in the localization of the intraflagellar transport protein IFT20, indicating its role in dynein-mediated protein transport during spermatogenesis. Additionally, it contributes to bone growth by supporting normal osteoblast differentiation.

Therapeutic significance:

Sperm flagellar protein 2 is linked to Spermatogenic failure 43, an autosomal recessive infertility disorder characterized by asthenospermia due to various sperm flagella abnormalities. Understanding the role of Sperm flagellar protein 2 could open doors to potential therapeutic strategies for treating infertility issues related to sperm motility and morphology.

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