AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Plexin-A1

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Q9UIW2

UPID:

PLXA1_HUMAN

Alternative names:

Semaphorin receptor NOV

Alternative UPACC:

Q9UIW2

Background:

Plexin-A1, also known as Semaphorin receptor NOV, is a pivotal protein in the nervous system. It serves as a coreceptor for SEMA3A, SEMA3C, SEMA3F, and SEMA6D, playing a crucial role in axon guidance, cell migration, and cytoskeleton remodeling. This protein's interaction with class 3 semaphorins and the subsequent activation of downstream signaling pathways underscore its importance in neural development and function.

Therapeutic significance:

Plexin-A1's involvement in Dworschak-Punetha neurodevelopmental syndrome, characterized by developmental delays, autism spectrum disorder, and other neurological abnormalities, highlights its potential as a therapeutic target. Understanding the role of Plexin-A1 could open doors to potential therapeutic strategies for treating or managing this syndrome and possibly other neurodevelopmental disorders.

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