
Molecular Modeling and Drug Design Research Group
Research group
01.01.2010 -
School of Pharmacy, Faculty of Health Sciences
Leaders
Contact persons
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.
Projects
Cooperation
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Transporter-Targeted Drug Delivery 01.09.2012 -
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Ocular Drug Delivery group (ODD) 01.01.2010 -
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Ketola lab: Cancer Cell Plasticity
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Kaarniranta AMD Lab 01.01.2004 -
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Pantsar dynamics 01.10.2022 -
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Mechanisms of cancer and metabolic disease (Levonen Lab) 01.01.2010 -
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GeneCellNano Flagship 01.07.2020 - 31.12.2024
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SimuRNA Lab 01.01.2023 -
Keywords
Leaders
Professors
Senior Researchers
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Tuomo Laitinen
Senior ResearcherFaculty of Health Sciences, School of Pharmacy -
Maija Lahtela-Kakkonen
Senior ResearcherFaculty of Health Sciences, School of Pharmacy -
Ina Pöhner
Postdoctoral Researcher -
Christopher Asquith
Senior ResearcherFaculty of Health Sciences, School of Pharmacy
Post-doctoral Researchers
Doctoral Researchers
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Arun Tonduru
Doctoral ResearcherFaculty of Health Sciences, School of Pharmacy -
Katayun Bahrami
Doctoral ResearcherFaculty of Health Sciences, School of Pharmacy -
Renne Leini
Doctoral ResearcherFaculty of Health Sciences, School of Pharmacy -
Ville Kuorikoski
Doctoral ResearcherFaculty of Health Sciences, School of Pharmacy -
Milla Kurki
Doctoral ResearcherFaculty of Health Sciences, School of Pharmacy -
Toni Sivula
Project ResearcherFaculty of Health Sciences, School of Pharmacy
Technicians
Contact persons
Publications
5 items-
SARS-COV-2 Mpro conformational changes induced by covalently bound ligands
Ferreira, Glaucio Monteiro; Kronenberger, Thales; Tonduru, Arun Kumar; Hirata, Rosario Dominguez, Crespo; Hirata, Mario Hiroyuki; Poso, Antti. 2021. Journal of biomolecular structure and dynamics. Published online: 13 Sep 2021: 1 - 11 A1 Journal article (refereed), original research -
SARS-CoV-2--host proteome interactions for antiviral drug discovery
Liu, Xiaonan; Huuskonen, Sini; Laitinen, Tuomo; Redchuk, Taras; Bogacheva, Mariia; Salokas, Kari; Pöhner, Ina; Öhman, Tiina; Tonduru, Arun Kumar; Hassinen, Antti; Gawriyski, Lisa; Keskitalo, Salla; Vartiainen, Maria K.; Pietiäinen, Vilja; Poso, Antti; Varjosalo, Markku. 2021. Molecular systems biology. 17: e10396 A1 Journal article (refereed), original research -
Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors
Tesch, R; Rak, M; Raab, M; Berger, LM; Kronenberger, T; Joerger, AC; Berger, BT; Abdi, I; Hanke, T; Poso, A; Strebhardt, K; Sanhaji, M; Knapp, S. 2021. Journal of medicinal chemistry. 64: 8142-8160 A1 Journal article (refereed), original research -
Targeting extracellular and juxtamembrane FGFR2 mutations in chemotherapy-refractory cholangiocarcinoma
Bitzer, Michael; Spahn, Stephan; Babaei, Sepideh; Horger, Marius; Singer, Stephan; Schulze-Osthoff, Klaus; Missios, Pavlos; Gatidis, Sergios; Nann, Dominik Mattern, Sven; Scheble, Veit; Nikolaou, Konstantin; Armeanu-Ebinger, Sorin; Schulze, Martin; Schroeder, Christopher; Biskup, Saskia; Beha, Janina; Claassen, Manfred; Ruhm, Kristina; Poso, Antti et al. 2021. npj precision oncology. 5: 80 A1 Journal article (refereed), original research -
The Future of Medicinal Chemistry, PROTAC, and Undruggable Drug Targets
Poso, Antti. 2021. Journal of medicinal chemistry. 64: 10680-10681 B1 Non-refereed journal articles