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Biomolecular modelling

Our Success

Top 20 references of our team members

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  1. Kaya, P., Schaffner-Reckinger, E., babu Manoharan, G., Vukic, V., Kiriazis, A., Ledda, M., Burgos Renedo, M., Pavic, K., Gaigneaux, A., Glaab, E., Abankwa, D.K. (2024): An Improved PDE6D Inhibitor Combines with Sildenafil To Inhibit KRAS Mutant Cancer Cell Growth. J. Med. Chem. 2024, 67, 11, 8569–8584, https://doi.org/10.1021/acs.jmedchem.3c02129

  2. Lazarevic, J., Acimovic, M., Đurovic-Pejcev, R., Loncar, B., Vukic, V., Pezo, L., Roljevic-Nikolic, S., Vrbnicanin, S., Bozic, D. (2024): Linking weed control techniques to anti-inflammatory potential: Comparative analysis of Angelica archangelica L. root essential oil profiles. Industrial Crops and Products, Vol. 216, 118656. https://doi.org/10.1016/j.indcrop.2024.118656

  3. Zeremski, T., Šovljanski, O., Vukić, V., Lončar, B., Rat, M., Perković Vukčević, N., Aćimović, M., Pezo, L. (2024): Combination of Chromatographic Analysis and Chemometric Methods with Bioactivity Evaluation of the Antibacterial Properties of Helichrysum italicum Essential Oil. Antibiotics, Vol. 13, 499. https://doi.org/10.3390/antibiotics13060499

  4. Aćimović, M., Semerdijeva, I., Zheljazkov, V., Rat, M., Stanković Jeremić J., Lončar, B., Vukić, V., Radovanović, K., Gavarić, N., Pezo, L. (2023): Variation in the essential oil composition and in silico analysis of anti-inflammatory potential of Balkan endemic species Achillea clypeolata Sm. Biochemical Systematics and Ecology, Vol. 110, 104679. https://doi.org/10.1016/j.bse.2023.104679

  5. Jaric, S., Bajaj, A., Vukic, V., Gadjanski, I., Abdulhalim, I., Bobrinetskiy, I. (2023): Label-Free Direct Detection of Cylindrospermopsin via Graphene-Enhanced Surface Plasmon Resonance Aptasensor. Toxins, 15, 326. https://doi.org/10.3390/toxins15050326

  6. Vukic, V., Vukic, D., Benedekovic, G., Kojic, V., Popsavin, V. (2022): (−)-Cleistenolide and its analogues as new potential antitumor compounds against PC-3 cells. Pharmaceutical Chemistry Journal, Vol. 56(5), 619-626. https://doi.org/10.1007/s11094-022-02686-z

  7. Siddiqui, F.A., Parkkola, H., Vukic, V., Oetken‐Lindholm, C., Jaiswal, A., Kiriazis A., Pavic, K., Aittokallio, T., Salminen, T.A., Abankwa, D. (2021): Novel Small Molecule Hsp90/Cdc37 Interface Inhibitors Indirectly Target K‐Ras‐Signaling. Cancers, Vol. 13(4), 927. doi.org/10.3390/cancers13040927

  8. Nji Wandi, B., Siitonen, V., Dinis, P., Vukic, V., Salminen, TA., Metsä-Ketelä, M. (2020): Evolution-Guided Engineering of Non-Heme Iron Enzymes Involved in Nogalamycin Biosynthesis. The FEBS Journal. Vol. 287 (14), 2998-3011 doi:10.1111/febs.15192

  9. Vukic, V., Loncar, D., Vukic, D., Jevric, L., Benedekovic, G., Francuz, J., Kojic, V., Karadzic, M., Popsavin, V. (2019): In vitro Antitumor Activity, ADME-Tox and 3D-QSAR of Synthesized and Selected Natural Styryl Lactones. Computational Biology and Chemistry. https://doi.org/10.1016/j.compbiolchem.2019.107112

  10. Kovačević, S., Karadžić, M., Vukic, D., Podunavac-Kuzmanović, S., Jevrić, L., Ajduković, J. E.(2019):Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cells. Journal of Molecular Graphics and Modelling, Vol. 87, 240-249. https://doi.org/10.1016/j.jmgm.2018.12.010

  11. Vukić, V., Vukic, D., Milanović, S., Iličić, M., Kanurić, K., Johnson, M. (2017): In silico identification of milk antihypertensive di- and tripeptides involved in Angiotensin I-Converting Enzyme inhibitory activity. Nutrition Research, 46, 22-30  doi: 10.1016/j.nutres.2017.07.009

  12. Vukić, V., Milanović, S., Iličić, M., Kanurić, K., Vukić D. (2016): Homology modelling and docking analysis of L-lactate dehydrogenase from Streptococcus thermophilus. Acta Periodica Technologica, 47, 241-248. Novi Sad. DOI: 10.2298/APT1647241V.

  13. Kovačević, S., Podunavac-Kuzmanović, S., Jevrić, Vukić, V., L., Savić, M., Djurendić, E. (2016): Preselection of A- and B- modified d-homo lactone and d-seco androstane derivatives as potent compounds with antiproliferative activity against breast and prostate cancer cells – QSAR approach and molecular docking analysis. European Journal of Pharmaceutical Sciences, Vol 93, 107–113 http://dx.doi.org/10.1016/j.ejps.2016.08.009

  14. Vukić, V., Hrnjez, D., Milanović, S., Iličić, M., Kanurić, K., Petri, E. (2015): Comparative molecular modelling and docking analysis of β-galactosidase enzymes from commercially important starter cultures used in the dairy industry. Food Biotechnology Vol. 29, 248-262. DOI: 10.1080/08905436.2015.1059766.

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