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Biomolecular modelling

Our Success

Top 20 references of our team members

  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. Cvetanović Kljakić A., Lončar B., Sinan K.I., Etienne O.K., Božunović J., Gašić U., Koyuncu I., Yuksekdag O., Zengin G. UHPLC–MS/MS analysis, cytotoxic, enzyme inhibition and antioxidant properties of Lantana camara L. extracts obtained by conventional and non-conventional methods. 2024. https://doi.org/10.1002/ardp.202400091.

  5. 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

  6. 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

  7. Smiljanić K., Prodić I., Sara Trifunovic, Krstić Ristivojević M., Aćimović M., Stanković Jeremić J., Lončar B., Tešević V. Multistep approach points to compounds responsible for the biological activity and safety of hydrolates from nine Lamiaceae medicinal plants on human skin fibroblasts, Antioxidants, 2023, 12, 1988, https://doi.org/10.3390/antiox12111988.

  8. Aćimović M., Raičević V., Bozanić Tanjga B., Lončar B., Šuput D.,  Šovljanski O., Tomić A., Cvanić T., Radovanović K., Kiprovski B. Profiling of Rosa hybrida cv. Mileva essential oil, evaluation of its bioactivity in vitro, chemometric analysis and comparison to other non-commercial roses. Journal of Essential Oil Bearing Plants, 2023, 26, https://doi.org/10.1080/0972060X.2023.2258910

  9. Aćimović, M.; Stanković Jeremić, J.; Miljković, A.; Rat, M.; Lončar, B. Screening of Volatile Compounds, Traditional and Modern Phytotherapy Approaches of Selected Non-Aromatic Medicinal Plants (Lamiaceae, Lamioideae) from Rtanj Mountain, Eastern Serbia. Molecules 2023, 28, 4611. https://doi.org/ 10.3390/molecules28124611.

  10. 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

  11. Aćimović M., Pezo L., Čabarkapa I., Trudić A., Stanković Jeremić J., Varga A., Lončar B., Šovljanski O., Tešević V. (2022). Variation of Salvia officinalis L. essential oil and hydrolate composition and their antimicrobial activity, Processes, 10, 1608. https://doi.org/10.3390/pr10081608

  12. Božanić Tanjga, B.; Lončar, B.; Aćimović, M.; Kiprovski, B.; Šovljanski, O.; Tomić, A.; Travičić, V.; Cvetković, M.; Raičević, V.; Zeremski, T. Volatile profile of garden rose (Rosa hybrida) hydrosol and evaluation of its biological activity in vitro. Horticulturae 2022, 8(10), 895; https://doi.org/10.3390/horticulturae8100895

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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.

  19. Kovačević, S., Podunavac-Kuzmanović, S., Jevrić, 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

  20. 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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