
Molecular Modeling and Drug Design Research Group
Our molecular modeling and computer-aided drug design (CADD) group at School of Pharmacy in Kuopio applies various computational chemistry methods to speed up identification of new drug candidates, and to improve their properties. Our group utilizes both structure-based and ligand-based methods.
Our molecular modeling and drug design research group aim to identify novel drug compounds or optimize lead structures. Moreover, we study and evaluate the druggability of selected targets and aim to develop high-quality chemical probes useful for pharmacological studies and to identify new therapeutic strategies against cancer, Type 2 diabetes and neurogenerative diseases. We use various available and established molecular modeling methods such as docking, similarity searches, 3D-QSAR, pharmacophore modeling, homology modeling and molecular dynamics to identify novel hit compounds or optimize lead structures.
Keywords
drug design
homology modelling
molecular docking
molecular dynamics simulations
molecular modeling
pharmacy
QSAR
virtual screening
Group members - UEF
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Antti Poso Professor , Faculty of Health Sciences, School of Pharmacy
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Tuomo Laitinen Senior Researcher , Faculty of Health Sciences, School of Pharmacy
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Tatu Pantsar Nuorempi tutkija, Faculty of Health Sciences, School of Pharmacy
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Maija Lahtela-Kakkonen Senior Researcher , Faculty of Health Sciences, School of Pharmacy
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Prasanthi Medarametla Early Stage Researcher , Faculty of Health Sciences, School of Pharmacy
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Arun Tonduru Early Stage Researcher
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Jonna Tenhunen Faculty of Health Sciences, School of Pharmacy
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Piia Bartos Senior Researcher , Faculty of Health Sciences, School of Pharmacy
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Joni Järvenpää Early stage researcher
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Katayun Bahrami Early Stage Researcher , Faculty of Health Sciences, School of Pharmacy