1.

Discovery of novel inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach.

Based on the available information structure-based pharmacophore approach was utilized to identify the three-dimensional chemical features necessary for the optimal molecular recognition. The derived 3D pharmacophores were subjected to a validation procedure using a set of active and inactive compounds. In conjunction with molecular interaction field calculations, determining energetically favourable binding areas within the MurD binding site and molecular docking simulations, a virtual screening campaign was performed resulting in the discovery of several MurD enzyme inhibitors

B.03 Paper at an international scientific conference

COBISS.SI-ID: 4424730

2.

Antibacterial combination of a tricyclic carbapenem and an antibiotic

The invention relates to the pharmaceutical composition of ethylene derivatives of tricyclic carbapenems in the form of pure diastereoisomers and in the form of pure geometric isomers or a salt, ester or amide derivative thereof and an antibiotic and the use of this composition as a broad band spectrum beta lactamase inhibitor.

F.06 Development of a new product

COBISS.SI-ID: 4059418

3.

Structure-based design of novel Leishmania trypanothione synthetase inhibitors

By applying structure-based virtual screening techniques, a novel class of trypanothione TSA 1H-indazole-based inhibitors was discovered. The inhibitory activity of the active compounds was found to be in a low micromolar range. It is important to stress that low molecular weight of these hits and several available substitution sites allow further optimization. These promising hit compounds represent valuable new information that could assist in the ongoing efforts aimed toward much-need oral antileishmanial agents effective in combating neglected parasitical infections.

B.03 Paper at an international scientific conference

COBISS.SI-ID: 4434202

4.

Simulation of proton transfer in the system of biological interest

J. Mavri reported recent progress of of proton transfer processes in the systems of biological interest. Special attention was given to the relevance of proton tunneling and dynamical effects in enzyme catalysis. J. Mavri was member of the organizing committee.

B.03 Paper at an international scientific conference

COBISS.SI-ID: 4543002

5.

Acta chimica slovenica. Mavri, Janez (member of the Editorial board 2005-).

Acta chimica slovenica. Mavri, Janez (member of the Editorial board 2005-). [Tiskana izd.]. Ljubljana: Slovensko kemijsko društvo: =Slovenian Chemical Society, 1993-. ISSN 1318-0207. http://acta.chem-soc.si/. [COBISS.SI-ID 14086149]

C.05 Editorial board of a national magazine

COBISS.SI-ID: 14086149