Hit Identification

We combine multiple complementary screening approaches to maximize the likelihood of discovering high-quality, developable hits. Our extensive hit identification toolbox covers molecular target-based approaches (employing both functional and affinity-based technologies), phenotypic approaches, and virtual screening approaches.

• High-Throughput Screening (HTS): Rapidly evaluate large compound collections using robust biochemical and cellular assays (either labeled or label-free) designed to identify active molecules against challenging targets.
• Virtual Screening and Computational Drug Discovery: Leverage structure-based, ligand-based, and AI/ML-driven virtual screening alongside computational chemistry and predictive analytics to forecast compound performance and prioritize compounds with the highest probability of success before experimental testing begins.
• High-Throughput Affinity Screening:
  • Affinity Selection Mass Spectrometry (ASMS) Screening: Rapidly interrogate very large compound libraries to identify novel binders to your target, for further development into functional modulators, bifunctional molecules, or proximity inducers.
  • DNA-Encoded Library (DEL) Screening: Interrogate exceptionally large compound libraries through DNA-encoded technologies to uncover novel binders and expand discovery opportunities beyond traditional screening approaches.
• Fragment Screening: Identify low-molecular-weight starting points that can be optimized into potent drug candidates. Fragment-based approaches provide an effective route for exploring novel chemical space and addressing challenging targets.

Modern Hit ID increasingly relies on an early understanding of complex biological responses in cellular contexts rather than on isolated biochemical endpoints. We offer diverse cellular platforms, from simple single-cell assays to sophisticated phenotypic screening approaches in highly translational, disease-relevant models.

• Cell-Based Assays: Assess functional responses in cellular models, such as immortal cell lines, primary cells, human iPSC-derived cells and complex cellular systems.
• High-Content Imaging: Capture rich, multiparametric data describing cellular responses to compound treatment using high-content imaging approaches, coupled with state-of-the-art AI-driven image analysis. This enables the identification of spatially resolved target activity, the characterization of subtle phenotypic changes, and the uncovering of new biological insights that may be missed through traditional screening methods.
• Automated Electrophysiology: Identify and characterize therapeutic functional effects on ion channels using high-throughput automated patch clamp platforms.
  • We offer a broad portfolio of pre-developed, off-the-shelf ion channel assay panels that enable rapid project initiation, whilst also supporting the development of bespoke assays tailored to specific research needs.
  • We can build bespoke lines if your channel of interest is not currently available in our existing catalog.
• Mechanism of Action Investigations: Combine screening data with multiomic approaches, advanced analytics, and biological expertise to understand how hits produce their effects and identify the most promising candidates for further development.

High-quality screening outcomes begin with access to high-quality, diverse, and relevant chemical matter. We provide access to carefully curated compound collections that support multiple screening modalities and therapeutic areas. Library selection can be tailored to specific target classes, biological hypotheses, or discovery objectives.

As part of hit identification programs, our expert teams can guide on the appropriate selection of screening sets, cluster and prioritize emerging putative series and further expand any equity through in silico hit expansion (into our own libraries & multiple external sources, including on-demand catalogs).

These capabilities help transform promising hits into stronger starting points for downstream development.

Every hit ID program within IQVIA Laboratories benefits from embedded medicinal chemistry support from the outset. This provides you with early and honest insight into the likelihood that the identified hits will progress to lead molecules. Our teams are aligned from the outset to help you develop your onward plan for progression by applying our combined drug-discovery knowledge.   We offer:

• Early prioritization and de-risking through:
  • In silico predictions on a range of ADME properties using our high-quality proprietary models
  • Empirical profiling of key molecules through our fast turnaround Tier 1 ADME assays
• Design of a robust onwards assay cascade and strategy to drive your onwards drug-discovery campaign
• Application of AI-Enhanced drug-discovery to supercharge timelines to lead identification and optimization, and beyond