The Power of Hit Identification at Immunocure

Our advanced methodologies and cutting-edge technologies redefine hit identification, tackling the challenges that hinder traditional drug development. Dive into the world of Immunocure’s optimized virtual screening protocols and groundbreaking hit identification strategies that promise to transform the landscape of drug discovery.

Overcoming Challenges in Drug Discovery:

Drug discovery is a complex journey, burdened by high costs, preclinical hurdles, and clinical trial failures. Immunocure addresses these challenges by introducing a novel Expansive Small Molecule Chemical Space (ESMCS), a non-redundant and diverse universe of 20 billion compounds. This extensive chemical space is crafted from commercial sources and in-house generative chemistry, ensuring a wealth of superior compounds for exploration.

Smart Databases for Enriched Hits:

ESMCS is more than just a vast chemical space; it’s intelligently classified into smart databases through comparative analysis. These databases, enriched with drug-like properties, including solubility, permeability, low toxicity, and disease-target relevance, serve as the cornerstone for hit identification at Immunocure.

The Hit Identification Process:

Immunocure’s hit identification process is a synergy of virtual screening, AI, and structure-based screening. Virtual screening of ultra-large databases generates molecules with high binding affinity and diverse scaffolds. Our AxDrug platform integrates AI, NLP, and machine learning with physics-based methods for fast and accurate screening of ESMCS.

Identifying hotspots using fragment-based methods and ultrafast screening, coupled with consensus docking on flexible protein pockets, ensures the selection of high-quality lead compounds. The explicit solvent-based simulation further refines the process, identifying high-affinity ligands.

Advanced Models for Precision:

At Immunocure, our foundation models, generated from biologically active small molecule databases, play a pivotal role. They identify off-target effects, ensuring selectivity and enabling Polypharmacology analysis for multi-target drug candidates. Accurate ADMET models assist in selecting drug candidates before synthesis and testing, while clinical models (ADRs) reduce attrition in clinical studies.

Fragment-Based Screening for Novel Binders:

Immunocure goes beyond conventional methods with fragment-based screening at protein-protein interaction sites. Our deep generative algorithms grow promising fragments into novel binders, adding a layer of innovation to hit identification.

Immunocure’s approach to hit identification is groundbreaking; Join us in the quest for high-affinity, selective, and drug-like compounds that promise to shape the future of pharmaceuticals. Explore the possibilities with Immunocure and witness the transformation of drug discovery through precision, innovation, and efficiency.

By revolutionizing hit identification with efficiency, precision, and innovation, Immunocure is propelling the industry toward a future where drug development is faster, more cost-effective, and, above all, impactful. Join us in this journey of transformation and witness the evolution of small molecule drug discovery with Immunocure at the helm.

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