services · 2–4 weeks
Drug Repurposing
Find new therapeutic hypotheses for approved and clinical-stage compounds.
The challenge
Why this matters
Conventional drug discovery asks teams to absorb high cost, long timelines and high attrition before clinical value is clear. Development timelines often exceed a decade, cost estimates vary from hundreds of millions to the billion-dollar scale, and most clinical candidates fail before approval.
Repurposing changes the starting point. Instead of beginning with an untested chemical entity, it uses compounds with existing pharmacology, safety, exposure or clinical information, then asks whether that evidence can support a new disease, target or pathway hypothesis.
Our solution
What we do about it
Discovera evaluates approved and clinical-stage compounds against disease-relevant targets, pathways and structural models using virtual screening, docking, off-target liability assessment and molecular dynamics where appropriate.
Within 2–4 weeks we deliver a ranked shortlist of repurposing candidates with target-level rationale, predicted binding poses, liability signals, clinical context and recommended experimental follow-up.
How it works
Four steps from disease question to repurposing shortlist
- 01Target mapping
We define the disease-relevant target, pathway or mechanism using structural data, biological context, known ligands and available binding-site information.
- 02Library screening
We screen approved and clinical-stage compounds using docking, ligand-based similarity, pharmacophore matching and off-target liability assessment where appropriate.
- 03Hit assessment
Top candidates are inspected structurally and, where useful, assessed with molecular dynamics to examine pose stability and interaction persistence.
- 04Report & ranking
We deliver a ranked candidate list with target-level rationale, predicted binding poses, liability signals, clinical context and recommended experimental follow-up.
What you get
What lands on your desk
Ranked shortlist of repurposing candidates
Each candidate is linked to the target, pathway or disease hypothesis that supports its prioritisation.
Binding-mode and structural rationale
Predicted binding poses, interaction patterns and structural assumptions are reported for the top candidates.
Optional molecular dynamics assessment
Where appropriate, molecular dynamics is used to examine pose stability, interaction persistence and conformational behaviour.
Development rationale
A concise review of existing clinical and safety information, patent landscape considerations and potential regulatory pathway constraints.
Technical report
Reproducible computational protocols, input libraries, assumptions, parameters, ranked outputs and recommended experimental follow-up.
Why Discovera
Why work with us
Evidence across scales
We connect molecular screening, structural modelling, off-target liability assessment and disease-context interpretation, so each candidate is evaluated beyond a single docking score.
Fast, focused prioritisation
Within 2–4 weeks we reduce broad approved and clinical-stage compound libraries to a ranked shortlist with explicit rationale for experimental follow-up.
Scientific traceability
Discovera builds on computational drug discovery expertise from the University of Verona ecosystem and translates it into partner-facing reports, reproducible workflows and experimentally testable recommendations.
Ideal for
Who this is for
- Biotechs with a validated target. Prioritise approved or clinical-stage compounds against a defined target, pathway or disease mechanism.
- Rare disease programmes. Explore repurposing hypotheses where speed, prior clinical exposure and focused experimental follow-up matter.
- Academic spin-offs. Generate mechanistically grounded, experimentally testable repurposing candidates for translational development.
- CROs and service providers. Add computational repurposing capacity for client programmes without building the full workflow internally.
- Pharma lifecycle management teams. Identify new indication hypotheses for existing portfolio compounds using target, pathway and liability evidence.
Tell us about the disease question
A short description of the disease, target, pathway, compound set or repurposing objective is enough to start a useful reply. If DiscoveraVS alone is the better route, we will say so.