Mu.Ta.Lig - COST ACTION CA15135

Dr. Danijel KIKELJ

14 June 2016


General information

Name:  Danijel
Surname:   Kikelj
Cell phone number with international prefix: +386-31-504-268
Country:  Slovenia   
Affiliation: University of Ljubljana, Faculty of Pharmacy, Slovenia
Gender: F □ M x
Year of the PhD title:  1988
Personal web page:
Previous COST participation: No □ Yes x


List of 10 selected publications within last 5 years

1.      TOMAŠIČ, Tihomir et al., Structure-based design of a new series of D-Glutamic acid-based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD). Journal of medicinal chemistry, 2011, vol. 54, 4600-4610.
2.      ZIDAR, Nace et al., New 5-benzylidenethiazolidin-4-one inhibitors of bacterial MurD ligase: design, synthesis, crystal structures, and biological evaluation. European Journal of Medicinal Chemistry, 2011, vol. 465512-5523.
3.      TOMAŠIČ, Tihomir et al.,  Virtual screening for potential inhibitors of bacterial MurC and MurD ligases. Journal of molecular modeling, 2012, vol. 18,  1063-1072.
4.      ILIĆ, Miloš et al., Fluorinated dual antithrombotic compounds based on 1,4-benzoxazine scaffold. European Journal of Medicinal Chemistry, 2012, vol. 50,  255-263
5.      TOMAŠIČ, Tihomir et al., Dual inhibitor of MurD and MurE ligases from Escherichia coli and Staphylococcus aureus. ACS Medicinal Chemistry Letters, 2012, vol. 3,  626-630.
6.      TRSTENJAK, Uroš et al., Low molecular weight dual inhibitors of factor Xa and fibrinogen binding to GPIIb/IIIa with highly overlapped pharmacophores. European Journal of Medicinal Chemistry, 2013, vol. 64, 302-313.
7.      ILIĆ, Miloš et al., Towards dual antithrombotic compounds – Balancing thrombin inhibitory and fibrinogen GPIIb/IIIa binding inhibitory activities of 2,3-dihydro-1,4-benzodioxine derivatives through regio- and stereoisomerism. European Journal of Medicinal Chemistry,  2013, vol. 62,  329-340.
8.      TRSTENJAK, Uroš et al., Transformation of selective factor Xa inhibitor rivaroxaban to a dual factor Xa/thrombin inhibitor by modification of the morpholin-3-one moiety. MedChemComm,   2014, vol. 5,  197-202.
9.      ZIDAR, Nace et al., N-phenyl-4,5-dibromopyrrolamides and N-phenylindolamides as ATP competitive DNA gyrase B inhibitors: design, synthesis, and evaluation. Journal of medicinal chemistry, 2015, vol. 58,  6179-6194
10.  TOMAŠIČ, Tihomir et al.,  Discovery of 4,5,6,7-tetrahydrobenzo[1, 2-d]thiazoles as novel DNA gyrase inhibitors targeting the ATP-binding site. Journal of medicinal chemistry, 2015, vol. 58,  5501-521.


Main skills and expertise (up to 5)

1.      drug design and synthesis
2.      peptidomimetics
3.      multitarget ligands
4.      antibacterial compounds, gyrase B and topoisomerase IV inhibitors
5.      dual antithrombotic compounds


Main equipment/facilities available in the participants’ lab (up to 5)

1.      modern equipment and facilities for organic synhesis
2.      up-to-date molecular modeling equipment
3.      NMR (400 MHz)
4.      ITC apparatus
5.      equipment for  enzymatic assays



Short personal activity proposal for the COST Action CA15135 (max 1000 characters)


Design, synthesis and evaluation of multitarget  ligands targeting gyrase B, topoisomerase IV and Hsp90



Work Group preference: score from 1 (preferred) to 4 (not preferred)

Work Group of the CA15135 COST Action Score
WG1: Development of new chemical entities 1
WG2: Selection of biological targets and assessment of biological data 3
WG3: Development of chemical databases 4
WG4: Development of Computational methods for multiple ligand design and discovery 2