Hit to Lead Services
Accelerating Early Drug Discovery with Precision-Driven Hit to Lead Solutions
At PI Health Sciences, our Hit to Lead services bridge the critical gap between hit identification and lead optimization. We support biotech and pharmaceutical companies in rapidly converting validated hits into high-quality lead compounds with improved potency, selectivity, and drug-like properties.
By integrating medicinal chemistry, computational drug design, in-vitro biology, and early ADME screening, our Hit-to-Lead drug discovery services enable confident, data-driven decisions early in the discovery pipeline—reducing risk, cost, and development timelines.
Our Hit to Lead Capabilities
01
Hit Validation & Prioritization
We assess and prioritize hits using orthogonal biological assays, chemical tractability analysis, and early developability and IP considerations to ensure resources are focused on the most viable chemical series.
02
Medicinal Chemistry & SAR Development
Our experienced medicinal chemists design and synthesize focused compound libraries to efficiently explore SAR, improve target potency, and enhance selectivity against off-targets, leveraging rational design, parallel synthesis, and iterative optimization cycles to accelerate progress.
03
Structure-Based & Ligand-Based Design
Using advanced computational tools, we support structure-based drug design (SBDD), ligand-based optimization, and binding mode analysis with hypothesis generation, enabling faster convergence toward optimized leads with fewer synthesis cycles.
04
In-Vitro Biology & Pharmacology
Integrated biological testing supports potency and efficacy assessment, mechanism of action validation, and functional and phenotypic assays, with tight chemistry–biology feedback loops ensuring rapid learning and optimization.
05
Early ADME & Developability Screening
To reduce downstream failures, we incorporate early evaluation of solubility and permeability, metabolic stability, and CYP inhibition and drug–drug interaction risk, helping identify developable lead candidates early in the program.
06
Therapeutic Expertise
PI Health Sciences supports Hit-to-Lead programs across multiple therapeutic areas, including oncology, inflammation & immunology, CNS disorders, metabolic diseases, and infectious diseases, with a flexible model that aligns seamlessly with your target biology and modality.
Why Hit to Lead Is a Critical Phase in Drug Discovery
The Hit to Lead stage determines whether an early discovery program advances successfully or fails due to poor optimization. Inadequate hit validation or weak SAR development can result in late-stage attrition and increased R&D costs.
Our Hit to Lead services focus on:
- Improving potency and selectivity
- Establishing structure–activity relationships (SAR)
- Enhancing drug-likeness and developability
- Identifying early liabilities and risks
PI Health Sciences delivers a data-driven and hypothesis-led approach to ensure only the most promising leads advance.
Why Partner with PI Health Sciences for Hit to Lead Services
Integrated Discovery Platform
Chemistry, biology, and ADME under one roof.
Experienced Scientific Teams
Proven track record in early drug discovery.
Faster Decision-Making
Data-driven, iterative optimization.
Risk Mitigation
Early identification of developability challenges.
Flexible Engagement Models
FTE, milestone-based, or full-program support.
Talk to Our Discovery Experts
From hits to high-quality leads—faster, PI Health Sciences’ Hit to Lead services help you advance with confidence, whether you are progressing a single chemical series or managing multiple discovery programs; if you are looking to accelerate your early drug discovery efforts, contact PI Health Sciences today to discuss how our discovery experts can support your pipeline and shorten the path to the clinic.
Frequently asked questions
We’re here to help with any questions you have about our plans, supported features, and how our model works.
What are Hit-to-Lead (H2L) services in drug discovery?
Hit-to-Lead services focus on transforming validated screening hits into optimized lead compounds by improving potency, selectivity, and drug-like properties. At PI Health Sciences, this phase integrates medicinal chemistry, biology, and early ADME to reduce risk before lead optimization.
When should a program enter the Hit-to-Lead stage?
A program is ready for Hit-to-Lead once initial hits are confirmed and show reproducible biological activity. This stage is ideal when you need to establish clear SAR, validate mechanisms of action, and assess early developability before committing to larger investments.
How does PI Health Sciences validate and prioritize hits?
We use a combination of orthogonal biological assays, chemical tractability analysis, early ADME screening, and IP considerations to prioritize the most viable chemical series—ensuring resources are focused on high-confidence hits.
What medicinal chemistry capabilities are included in Hit-to-Lead services?
Our medicinal chemistry support includes SAR-driven compound design, parallel synthesis, iterative optimization cycles, and rational design strategies aimed at improving potency, selectivity, and overall drug-likeness.
Do you support structure-based drug design (SBDD)?
Yes. We apply both structure-based and ligand-based drug design approaches, including binding mode analysis and computational modeling, to guide hypothesis-driven optimization and reduce unnecessary synthesis cycles.