Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


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


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


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
Receptor.AI
 
UPACC
O00429

UPID:
DNM1L_HUMAN

ALTERNATIVE NAMES:
Dnm1p/Vps1p-like protein; Dynamin family member proline-rich carboxyl-terminal domain less; Dynamin-like protein; Dynamin-like protein 4; Dynamin-like protein IV; Dynamin-related protein 1

ALTERNATIVE UPACC:
O00429; A8K4X9; B4DGC9; B4DSU8; G8JLD5; J3KPI2; O14541; O60709; Q59GN9; Q7L6B3; Q8TBT7; Q9BWM1; Q9Y5J2

BACKGROUND:
The Dynamin-1-like protein, essential for mitochondrial and peroxisomal fission, regulates cellular energy and metabolism. By mediating membrane constriction and division, it plays a crucial role in organelle inheritance and apoptosis. Its dysfunction is implicated in severe neurological and visual impairments, emphasizing its importance in human health.

THERAPEUTIC SIGNIFICANCE:
Dysfunction in Dynamin-1-like protein is associated with severe diseases such as Encephalopathy due to defective mitochondrial and peroxisomal fission 1 and Optic atrophy 5. Targeting this protein's pathway could lead to innovative treatments for these debilitating conditions, showcasing the therapeutic potential of understanding its role.

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