1st-in-class PPI modulators for numerous targets - hit rates: 50-100%. Do you need one?
Business Finland 700kE 2024-2025
Novo Nordisk Foundation 6MDKK 2022-2025
Syngap Fund $100k 2023-2024
Molecular discovery for
druggable and undruggable targets
Drug discovery Drug discovery



Some info about our projects:

Protein-Protein Interaction Modulators

One of our special interests is the rational discovery of protein-protein interaction (ppi) modulators. Indeed, it is considered to be, if not impossible, highly challenging. There are very few reported successes, where the first-in-class small molecule ppi modulators would had been identified via virtual screening, from which we were the very first ones - and now we have further successes, seven in total and increasing. Note that we have not only succeeded with blockers but also with identification of binding enhancers,

Cellular homeostasis - Effector molecules that do not compete with natural small molecules

How about finding a new way to treat diseases? Quite often the homeostasis of our cells is disturbed when competitively acting drugs are employed - This leads into natural response where cells are producing more of the target protein, thus, collapsing the therapeutic effect of pharmaceutical agent. If drug would only interfere the consequent effect, not the binding of the natural ligand, the homeostasis of cell would be maintained, but still the disease would be treated. Again our startegy in blocking of protein-protein interactions would be the perfect solution.

Do you have an interesting case? We would love to hear it, and collaborate with you!!!! It is as easy as A-B-C-D-E-mail: webpagecontact@medchem.fi.


  • The one and only Panther for NIB-screening can be found here: Panther
  • You know Elvis is not dead but sits back in his rocking chair, a.k.a. Rocker for AUCs etc Rocker-site
  • Keep your multiconformation data - and do many other things - with SDFCONF.
  • Use the (brute) Force... to Optimize your Panther-models (or similar) Brutenib at Github
  • WE

    Principal investigators

    Olli Pentikäinen PhD

    Head of the Software Development and Computer-aided Drug Discovery Unit/Commercial Project Coordinator
    Professor of Medicinal Chemistry (Institute of Biomedicine, UTu)
    Adjunct Professor in Biochemistry (Department of Biochemistry, UTu)
    Research Interests: Protein-Protein Interaction Modulation, Macrocycle discovery

    Pekka Postila PhD

    Head of the Biophysical Unit
    Associate Professor (Docent) in Cell and Molecular Biology (UJy)
    Research Interests: Molecular Dynamics Simulation in Drug Discovery, Virtual Screening Technology

    Pankaj Kumar Singh PhD

    Head of the Synthesis Unit
    Research interests: Medicinal Chemistry

    Business Development

    Tero LinnanenPhD

    Senior Business Champion

    Kseniia Petrova-SzczasiukBSc

    Business Champion

    Senior Scientist(s)

    Mira Ahinko PhD

    Senior Scientist
    Research interests: Software development

    Hanna ParkkolaPhD

    Senior Scientist
    Research interests: In vitro measurements and Cell biology

    Shelly Pathania PhD

    Senior Scientist
    Research interests: Medicinal Chemistry

    Santeri Puranen PhD

    Consulting Scientist
    Research interests: Software Development

    Post-graduate students

    Aliaa Ali MSc

    Molecular Dynamics, Virtual Screening

    Sakari Lätti MSc

    Software Development

    Sara Soikkeli MSc

    Machine Learning and Software Development

    Undergraduate students

    Paola Moyano GomezMs

    Molecular Discovery

    Henna-Riikka OtranenMs

    Structural Bioinformatics

    Kseniia Petrova-SzczasiukMs

    Computer-aided drug discovery

    Veera SoininenMs

    Computer-aided drug discovery


    Find us at some address at those places or hit us with a message!