Computational Bioscience Laboratory

09/08/2022

Open positions in my lab!

Professor Olli Pentikäinen (MedChem.fi-laboratory, Institute of Biomedicine) seeks researchers with doctoral degrees (Senior Research Fellow and Senior Researcher) and Project Researcher/Doctoral Researcher to participate in the development and application of macrocyclic and small molecule drug dis...

25/07/2022

Efficient usage of existing ligands in boosting the rescoring of docking results.

Despite the pivotal role of molecular docking in modern drug discovery, the default docking scoring functions often fail to recognize active ligands in virtual screening campaigns. Negative image-based rescoring improves docking enrichment by comparing the shape/electrostatic potential (ESP) of the....

23/06/2021

Million == million, although in Danish Krones

Novo Nordisk -säätiö myönsi vuoden 2021 apurahoja neljälle Turun yliopiston tutkijalle, yhteensä noin 509 500 euron arvosta.

01/03/2021

Just accepted!
Juvonen RO, Jokinen EM, Huuskonen J, Kärkkäinen O, Raunio H, Pentikäinen OT.Molecular docking and oxidation kinetics of 3-phenyl coumarin derivatives by human CYP2A13. Xenobiotica.

20/08/2020

Turun yliopisto on tehnyt kansainvälisen lääkeyhtiön kanssa lisenssisopimuksen, joka edistää CIP2A-proteiiniin kohdistuvien syöpälääkkeiden kehittämistä.

01/07/2020

Our review was just accepted to IJMS.
Raunio H, Pentikäinen OT, Juvonen RO. Coumarin based profluorescent and fluorescent substrates for determining xenobiotic-metabolizing enzyme activities in vitro. International Journal of Molecular Sciences. Review. In Press.

Activities of xenobiotic-metabolizing enzymes have been measured with various in vitro and in vivo methods, such as spectrophotometric, fluorometric, mass spectrometric, and radioactivity-based techniques. In fluorescence-based assays, the reaction produces a fluorescent product from a nonfluorescen...

28/01/2020

Good news again! Just accepted (yesterday).
Juvonen RO, Jokinen EM, Javaid A, Lehtonen M, Raunio H, Pentikäinen OT. Inhibition of human CYP1 enzymes by a classical inhibitor α-naphthoflavone and a novel inhibitor N-(3, 5- dichlorophenyl)cyclopropanecarboxamide - an in vitro and in silico study. Chemical Biology & Drug Design.

23/10/2019

Our first paper on Beagle dog proteins: In vitro glucuronidation of 7-hydroxycoumarin derivatives in intestine and liver microsomes of Beagle dogs, was just accepted to the European Journal of Pharmaceutical Sciences

Note, the dog shown in this picture is not a beagle, but assumably the glucuronidation would be quite the same for him.

11/10/2019

Oletko CADD-osaaja-post-doc (tai about) ilman töitä? Mitä mietit, hae meille

Erikoistutkijan tehtävään otettavalta edellytetään tohtorin tutkintoa ja kykyä itsenäiseen tieteelliseen työhön. Opetus- ja tutkimushenkilöstön tehtävärakenteen kolmannelle portaalle sijoittavissa tehtävissä edellytetään lisäksi näyttöä tieteellisestä tutkimustyöstä sekä teh...

04/06/2019

Our manuscript:
A Practical Perspective: The Effect of Ligand Conformers on the
Negative Image-Based Screening
was just accepted to International Journal of Molecular Sciences.
by
Mira Ahinko, Sami Kurkinen, Sanna Niinivehmas, Olli Pentikäinen,
Pekka Postila

07/12/2018

Elmeri got funding from DRDP for 3m/2019; 6m/2020; 6m/2021!