AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dynamin-1-like protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

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:

Dynamin-1-like protein, also known as Dnm1p/Vps1p-like protein, plays a pivotal role in mitochondrial and peroxisomal division. It orchestrates membrane fission through GTP hydrolysis-dependent mechanisms, ensuring cellular health and proper organelle distribution. Its involvement in synaptic vesicle dynamics and apoptosis underscores its multifunctionality in cellular processes.

Therapeutic significance:

Linked to Encephalopathy due to defective mitochondrial and peroxisomal fission 1 and Optic atrophy 5, Dynamin-1-like protein's dysfunction highlights its critical role in neurodevelopment and vision. Understanding its mechanisms opens avenues for targeted therapies in mitochondrial-related disorders.

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