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CNDDL Discovery Projects

Our expertise in developing cutting-edge virtual labs empowers us to drive an in-house drug discovery program. By leveraging advanced computational techniques and custom-tailored molecular models, we streamline the process of identifying and optimizing drug candidates. This unique capability allows us to explore new therapeutic areas and accelerate innovation, all within the digital lab environment.

5HT-1A and D1 Allosteric Modulators

5HT1A.jpg
7E2Y- Structure of serotonin-bound 5-HT1A receptor(2021)
ature 592: 469-473

Disease target: Mental, neurodegenerative, and neurodevelopmental disorders

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Hit from in silico: Identified

Stage: Synthesis

5HT-1A and D1 allosteric modulators represent a promising frontier in the treatment of mental disorders, particularly those related to serotonin and dopamine dysregulation. These modulators offer the potential to fine-tune receptor activity, providing more targeted therapeutic effects with potentially fewer side effects compared to traditional agonists or antagonists. Leveraging our expertise in artificial intelligence, machine learning, and in silico methods, we are dedicated to developing novel small molecules that can modulate these receptors with high specificity and efficacy. By harnessing these advanced technologies, we aim to create innovative treatments that address the underlying mechanisms of mental health conditions and neurodegenerative/neurodevelopmental disorders, ultimately improving patient outcomes. 

GLP-1 Small Molecule Agonists

Disease target: Metabolic disorders

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Hit from in silico: Identified

Current stage: Synthesis

GLP-1, a crucial hormone involved in glucose metabolism and insulin secretion, holds immense potential for the treatment of diabetes and related metabolic disorders. Peptide agonists of the glucagon-like peptide-1 receptor (GLP-1R) have revolutionized diabetes therapy and weight management, but their use has been limited because they require injection.

Leveraging our expertise in artificial intelligence, machine learning, and in silico methods, we are dedicated to developing novel small molecules that modulate GLP-1 activity with precision and efficacy. 

GLP-1_edited.jpg
6X1A- Structure of human GLP-1 with a non-peptide agonist
(2020) Mol Cell 80: 485 
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