1st-in-class PPI modulators for numerous targets - hit rates: 50-100%. Do you need one?
Panther:
Our favorite big cat moved to medchem.fi/panther
News:
We are part of the InFlames-flagship program.
Small molecule discovery for
druggable and undruggable targets
Drug discovery Drug discovery

MedChem.fi

News

Our favorite big cat moved to medchem.fi/panther
We are part of the InFlames-flagship program.

Research

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.

Software

  • 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
  • WE

    Principal investigators

    Sanna Niinivehmas PhD

    Head of the Ligand Discovery Unit
    Research interests: Computer-aided Drug Discovery, Virtual Screening

    Olli Pentikäinen PhD

    Head of the Software Development and Macrocycle 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
    University Lecturer
    Adjunct Professor in Cell and Molecular Biology (UJy)
    Research Interests: Molecular Dynamics Simulation in Drug Discovery, Virtual Screening Technology


    Senior Scientist(s)

    Santeri Puranen PhD

    Senior Scientist
    Research interests: Software Development

    Pankaj Kumar Singh PhD

    TCSM Postdoc (2021-2024)
    Research interests: Computational and Experimental Medicinal Chemistry


    Post-graduate students

    Elmeri Jokinen MSc

    University of Turku; Molecular Dynamics, Method Development, Virtual Screening

    Sami Kurkinen MSc

    University of Turku; Virtual Screening and Work-flow Development

    Sakari Lätti MSc

    University of Turku; Software Development


    Undergraduate students

    Kseniia Petrova-SzczasiukMs

    MSc-thesis -projects

    Miika NiemeläinenBSc

    Contact

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