Dr. Dmitrii V. Kalinin
since 2018	Group Leader at the Institute of Pharmaceutical and Medicinal Chemistry, University of Münster, Germany
2017-2018	Postdoc at the University of Southern Denmark (group of Prof. T. Ulven), Denmark
2015	Research Stay (Molecular Modelling) at the Institute of Pharmacy, Martin-Luther-Universität Halle-Wittenberg (group of Prof. W. Sippl), Germany
2013-2017	Ph.D. Fellow of the International “Cells in Motion” Graduate School, University of Münster (group of Prof. B. Wünsch and Prof. R. Holl), Germany Dissertation: Amino Acid- and Triazole-Based Hydroxamates Targeting Zn2+-dependent Enzymes (LpxC, MMPs, and smHDAC8): Synthesis, Biological Evaluation, Docking Studies, and PET Tracer Development, 477 pages, Münster, 2016.
2012	Research Associate at the School of Pharmacy, Curtin University of Technology (group of Prof. A. Dolzhenko), Australia
2010-2012	Organic Chemistry Assistant at the Perm State Pharmaceutical Academy and work as a Pharmacist, Russia
2004-2009	Study of Pharmacy, Perm State Pharmaceutical Academy, Russia

Awards and Honors
2017	“Cells-in-Motion Bridging Grant” (short-lasting Post-doc position, CiM, WWU)
2015	“Pilot Project Grant” (start-up financing for research project, CiM, WWU)
2016	Best poster prize, Symposium on Medicinal Chemistry EFMC-ISMC 2016, Manchester, UK
2014	Best poster prize, 7th Summer school "Medicinal Chemistry", University of Regensburg, Germany
2013	Ph.D. Fellowship of the “Cells in motion” Graduate School
2013	Endeavour Postgraduate Scholarship in Australia (declined in a favor of “CIM Fellowship”)
2012	Scholarship of the President of the Russian Federation for Traineeship Abroad
2011	Research Grant “START” (Fund for Assistance to Small Innovative Enterprises in Science and Technology)
2010	Research Grant “UMNIK” – the pre-seed funding program (Fund for Assistance to Small Innovative Enterprises in Science and Technology)
2008	Best poster and presentation prize, National Congress “Man and Medicine”, Moscow
2008, 2009	Scholarship of the President of the Russian Federation
2006	Scholarship of the Head of the City of Perm

Topics of Research

Blood Coagulation Synthesis of Small Molecules Targeting Thrombosis Blood Coagulation Factors and Neuroinflammation

Our research activities lay in the field of Medicinal Chemistry and Drug Design. We are mainly focused on the development of new chemical entities aiming to address blood coagulation factors to find their application as anticoagulant agents. For this purpose, we utilize a computational approach to design new molecules followed by their synthesis and analytical characterization. Additional emphasis is placed on the drug-like characteristics of compounds, e.g. lipophilicity, solubility, stability etc. Newly synthesized potential anticoagulants are subjected to enzymatic assays and in vitro coagulation tests. This Project is supported by the Deutsche Forschungsgemeinschaft (DFG)

Synthetic approach: heterocyclic chemistry, Pd-catalyzed cross-coupling reactions, carbonylative reactions, stereoselective synthesis, microwave-assisted synthesis etc. Molecular modeling: computer-aided drug design, docking studies; Bioassays: we utilize and develop in vitro coagulation assays and study the inhibitory activity of novel compounds towards the human blood coagulation factors utilizing chromogenic substrates.

Current Team Members Lukas Imberg Ph.D. topic: “Synthesis of Factor XIIa Inhibitors“ Simon Platte Ph.D. topic: “Synthesis and biological evaluation of small molecules targeting human blood coagulation factors” Calvin Dunker MSc topic: “Synthesis of 1H-1,2-pyrazole-5-amine derivatives as Factor XIIa and Thrombin inhibitors“ Jonas Witte MSc topic: “N-Acylated pyrrolidine-2-carboxamides designed to inhibit human blood coagulation factor XIIa“ Marie Reinker MSc topic: “Total synthesis of Auranthine, a secondary metabolite of P. aurantiogriseum“

Publications

1. Platte, S., Korff, M., Imberg, L., Balicioglu, I., Erbacher, C., Will, J.M., Daniliuc, C.G. and Karst, U., Kalinin, D.V.* Microscale Parallel Synthesis of Acylated Aminotriazoles Enabling the Development of Factor XIIa and Thrombin Inhibitors. ChemMedChem 2021. https://doi.org/10.1002/cmdc.202100431

2. Kalinin, D. V.* Factor XII(a) inhibitors: a review of the patent literature. Expert Opin Ther Pat 2021 (just-accepted). https://doi.org/10.1080/13543776.2021.1945580

3. Korff, M.; Imberg, L.; Will, J. M.; Buckreiss, N.; Kalinina, S. A.; Wenzel, B. M.; Kastner, G. A.; Daniliuc, C. G.; Barth, M.; Ovsepyan, R. A.; Butov, K. R.; Humpf, H. U.; Lehr, M.; Panteleev, M. A.; Poso, A.; Karst, U.; Steinmetzer, T.; Bendas, G.; Kalinin, D. V.* Acylated 1H-1,2,4-Triazol-5-amines Targeting Human Coagulation Factor XIIa and Thrombin: Conventional and Microscale Synthesis, Anticoagulant Properties, and Mechanism of Action. J Med Chem 2020, 63, 13159-13186. https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01635

4. Kalinin, D. V.; Jana, S. K.; Pfafenrot, M.; Chakrabarti, A.; Melesina, J.; Shaik, T. B.; Lancelot, J.; Pierce, R. J.; Sippl, W.; Romier, C.; Jung, M.; Holl, R. Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. ChemMedChem 2020, 15, 571-584. https://doi.org/10.1002/cmdc.201900583

 

5. Tangherlini, G.; Kalinin, D. V.; Schepmann, D.; Che, T.; Mykicki, N.; Stander, S.; Loser, K.; Wunsch, B. Development of Novel Quinoxaline-Based kappa-Opioid Receptor Agonists for the Treatment of Neuroinflammation. J Med Chem 2019, 62, 893-907. https://doi.org/10.1021/acs.jmedchem.8b01609

6. Kalinin, D. V.; Agoglitta, O.; Van de Vyver, H.; Melesina, J.; Wagner, S.; Riemann, B.; Schafers, M.; Sippl, W.; Loffler, B.; Holl, R. Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies. Bioorg Med Chem 2019, 27, 1997-2018. https://doi.org/10.1016/j.bmc.2019.03.056

 

7. Thum, S.; Schepmann, D.; Kalinin, D. V.; Ametamey, S. M.; Wunsch, B. Replacement of the Benzylpiperidine Moiety with Fluorinated Phenylalkyl Side Chains for the Development of GluN2B Receptor Ligands. ChemMedChem 2018, 13, 2522-2529. https://doi.org/10.1002/cmdc.201800566

8. Marek, M.; Shaik, T. B.; Heimburg, T.; Chakrabarti, A.; Lancelot, J.; Ramos-Morales, E.; Da Veiga, C.; Kalinin, D.; Melesina, J.; Robaa, D.; Schmidtkunz, K.; Suzuki, T.; Holl, R.; Ennifar, E.; Pierce, R. J.; Jung, M.; Sippl, W.; Romier, C. Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J Med Chem 2018, 61, 10000-10016. https://doi.org/10.1021/acs.jmedchem.8b01087

 

9. Kalinina, S. A.; Kalinin, D. V.; Hovelmann, Y.; Daniliuc, C. G.; Muck-Lichtenfeld, C.; Cramer, B.; Humpf, H. U. Auranthine, a Benzodiazepinone from Penicillium aurantiogriseum: Refined Structure, Absolute Configuration, and Cytotoxicity. J Nat Prod 2018, 81, 2177-2186. https://doi.org/10.1021/acs.jnatprod.8b00187

 

 

10. Kalinin, D. V.; Holl, R. LpxC inhibitors: a patent review (2010-2016). Expert Opin Ther Pat 2017, 27, 1227-1250. https://doi.org/10.1080/13543776.2017.1360282

11. Kalinin, D. V.; Wagner, S.; Riemann, B.; Hermann, S.; Schmidt, F.; Becker-Pauly, C.; Rose-John, S.; Schafers, M.; Holl, R. Novel Potent Proline-Based Metalloproteinase Inhibitors: Design, (Radio)Synthesis, and First in Vivo Evaluation as Radiotracers for Positron Emission Tomography. J Med Chem 2016, 59, 9541-9559. https://doi.org/10.1021/acs.jmedchem.6b01291

 

12. Kalinin, D. V.; Holl, R. Insights into the Zinc-Dependent Deacetylase LpxC: Biochemical Properties and Inhibitor Design. Curr Top Med Chem 2016, 16, 2379-430. https://doi.org/10.2174/1568026616666160413135835

13. Kalinina, S. A.; Elkina, O. V.; Kalinin, D. V.; Syropyatov, B. Y.; Dolzhenko, A. V. Diuretic activity and toxicity of some Verbascum nigrum extracts and fractions. Pharm Biol 2014, 52, 191-8. https://doi.org/10.3109/13880209.2013.822001

14. Kalinina, S. A.; Kalinin, D. V.; Dolzhenko, A. V. A one-pot, three-component, microwave-promoted synthesis of 2-amino-substituted 7-amino-1,2,4-triazolo[1,5-a][1,3,5]triazines. Tetrahedron Lett 2013, 54, 5537-5540. https://doi.org/10.1016/j.tetlet.2013.07.158

15. Kalinin, D. V.; Pantsurkin, V. I.; Syropyatov, B. Y.; Kalinina, S. A.; Rudakova, I. P.; Vakhrin, M. I.; Dolzhenko, A. V. Synthesis, local anaesthetic and antiarrhythmic activities of N-alkyl derivatives of proline anilides. Eur J Med Chem 2013, 63, 144-50. https://doi.org/10.1016/j.ejmech.2013.02.003

16. Kalinin, D. V.; Kalinina, S. A.; Dolzhenko, A. V. A New Synthesis of Amino Substituted Azolo[1,3,5]Triazines Via Reaction of N-1,N-1-Dimethyl-N-2-Azolylformamidines with Cyanamide. Heterocycles 2013, 87, 147-154. http://doi.org/10.3987/COM-12-12601

17. Dolzhenko, A. V.; Kalinina, S. A.; Kalinin, D. V. A novel multicomponent microwave-assisted synthesis of 5-aza-adenines. Rsc Adv 2013, 3, 15850-15855. https://doi.org/10.1039/C3RA41932K

18. Kalinin, D. V.; Kalinina, S. A.; Dolzhenko, A. V. Synthesis of Novel Trichloromethyl Substituted Azolo[1,3,5]Triazines. Heterocycles 2012, 85, 2515-2522. http://doi.org/10.3987/COM-12-12542