• 2008 GlaxoSmithKline Exceptional Science Award

Books and book chapters

Book chapters

• Parnham J. Michael, Stepanić, V., Tafferner Nadja, Panek, M. & Verbanac, D. (2019) Mild plant and dietary immunomodulators. U: Parnham, J. & Nijkamp, P. (ur.) Nijkamp and Parnham's Principles of Immunopharmacology. Basel, Springer, str. 561-587 doi:10.1007/978-3-030-10811-3_28.

  doi

• Stepanić, V., Novak Kujundžić, R. & Gall Trošelj, K. (2014) Epigenome, Cancer Prevention and Flavonoids and Curcumin. U: Christopher J. Payne (ur.) Epigenetics and Epigenomics. Rijeka, InTech, str. 173-209. (https://www.bib.irb.hr/695401).

• Verbanac, D., Stepanić, V., Lučić, B. & Amić, D. (2012) “The Must” of the Drug Discovery and Development is – Interdisciplinarity. U: Paar, V. (ur.) Bioinformatics and biological physics : proceedings of the scientific meeting. Zagreb, Croatian Academy of Sciences and Arts, str. 179-189. (https://www.bib.irb.hr/678621).

Journal articles

Scientific and review papers

• Pehar, V., Kolić, D., Zandona, A., Šinko, G., Katalinić, M., Stepanić, V. & Kovarik, Z. (2023) Selected herbicides screened for toxicity and analysed as inhibitors of both cholinesterases. Chemico-Biological Interactions, 379, 110506, 13 doi:10.1016/j.cbi.2023.110506.

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• Stepanić, V. & Kučerová-Chlupáčová, M. (2023) Review and Chemoinformatic Analysis of Ferroptosis Modulators with a Focus on Natural Plant Products. Molecules, 28 (2), 475, 30 doi:10.3390/molecules28020475.

  doiwww.mdpi.comfulir.irb.hr

• Dokli, I., Brkljača, Z., Švaco, P., Tang, L., Stepanić, V. & Majerić Elenkov, M. (2022) Biocatalytic approach to chiral fluoroaromatic scaffolds. Organic & biomolecular chemistry, 20, 9734-9741 doi:10.1039/D2OB01955H.

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• Milčić, N., Stepanić, V., Crnolatac, I., Findrik Blažević, Z., Brkljača, Z. & Majerić Elenkov, M. (2022) Inhibitory effect of DMSO on halohydrin dehalogenase: Experimental and computational insights into the influence of an organic co-solvent on the structural and catalytic properties of a biocatalyst. Chemistry : a European journal, 28 (56), e202201923, 11 doi:10.1002/chem.202201923.

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• Antonijević, M., Simijonović, D., Avdović, E., Ćirić, A., Petrović, Z., Marković, J., Stepanić, V. & Marković, Z. (2021) Green One-Pot Synthesis of Coumarin-Hydroxybenzohydrazide Hybrids and Their Antioxidant Potency. Antioxidants, 10 (7), 1106, 18 doi:10.3390/antiox10071106.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Cichońska, A., Ravikumar, B., Allaway, R., Wan, F., Park, S., Isayev, O., Li, S., Mason, M., Lamb, A., Tanoli, Z., Jeon, M., Kim, S., Popova, M., Capuzzi, S., Zeng, J., Dang, K., Koytiger, G., Kang, J., Wells, C., Willson, T., The IDG-DREAM Drug-Kinase Binding Prediction Challenge Consortium, Oršolić, D., Lučić, B., Stepanić, V., Šmuc, T., Oprea, T., Schlessinger, A., Drewry, D., Stolovitzky, G., Wennerberg, K., Guinney, J. & Aittokallio, T. (2021) Crowdsourced mapping of unexplored target space of kinase inhibitors. Nature communications, 12, 3307, 18 doi:10.1038/s41467-021-23165-1.

  doiwww.nature.comdoi.orgfulir.irb.hr

• Oršolić, D., Pehar, V., Šmuc, T. & Stepanić, V. (2021) Comprehensive machine learning based study of the chemical space of herbicides. Scientific reports, 11, 11479, 12 doi:10.1038/s41598-021-90690-w.

  doiwww.nature.comdoi.orgfulir.irb.hr

• Tascioglu Aliyev, A., Panieri, E., Stepanić, V., Gurer-Orhan, H. & Saso, L. (2021) Involvement of NRF2 in Breast Cancer and Possible Therapeutical Role of Polyphenols and Melatonin. Molecules, 26 (7), 1853-1871 doi:10.3390/molecules26071853.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Gelemanović, A., Vidović, T., Stepanić, V. & Trajković, K. (2021) Identification of 37 Heterogeneous Drug Candidates for Treatment of COVID-19 via a Rational Transcriptomics-Based Drug Repurposing Approach. Pharmaceuticals, 14 (2), 87, 17 doi:10.3390/ph14020087.

  doiwww.mdpi.comfulir.irb.hr

• Amić, A., Marković, Z., Dimitrić Marković, J., Milenković, D. & Stepanić, V. (2020) Antioxidative potential of ferulic acid phenoxyl radical. Phytochemistry, 170, 112218, 8 doi:10.1016/j.phytochem.2019.112218.

  doi

• Harej, A., Meščić Macan, A., Stepanić, V., Klobučar, M., Pavelić, K., Kraljević Pavelić, S. & Raić-Malić, S. (2019) The antioxidant and antiproliferative activities of 1,2,3-triazolyl-L-ascorbic acid derivatives. International journal of molecular sciences, 20 (19), 4735, 26 doi:10.3390/ijms20194735.

  doiwww.mdpi.comfulir.irb.hr

• Meščić Macan, A., Harej, A., Cazin, I., Klobučar, M., Stepanić, V., Pavelić, K., Kraljević Pavelić, S., Schols, D., Snoeck, R., Andrei, G. & Raić-Malić, S. (2019) Antitumor and antiviral activities of 4-substituted 1,2,3-triazolyl-2,3-dibenzyl-L-ascorbic acid derivatives. European journal of medicinal chemistry, 184, 111739, 17 doi:10.1016/j.ejmech.2019.111739.

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• Stepanić, V., Matijašić, M., Horvat, T., Verbanac, D., Kučerová-Chlupáčová, M., Saso, L. & Žarković, N. (2019) Antioxidant Activities of Alkyl Substituted Pyrazine Derivatives of Chalcones - In Vitro and In Silico Study. Antioxidants, 8 (4), 90-102 doi:10.3390/antiox8040090.

  doiwww.mdpi.comfulir.irb.hr

• Novak Kujundžić, R., Stepanić, V., Milković, L., Čipak Gašparović, A., Tomljanović, M. & Gall-Trošelj, K. (2019) Curcumin and its Potential for Systemic Targeting of Inflamm-Aging and Metabolic Reprogramming in Cancer. International journal of molecular sciences, 20 (5), 1180, 24 doi:10.3390/ijms20051180.

  doiwww.mdpi.comfulir.irb.hr

• Stepanić, V., Matić, S., Amić, A., Lučić, B., Milenković , D. & Marković, Z. (2019) Effects of conjugation metabolism on radical scavenging and transport properties of quercetin – In silico study. Journal of molecular graphics & modelling, 86, 278-285 doi:10.1016/j.jmgm.2018.10.023.

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• Matić, S., Jadrijević-Mladar Takač, M., Barbarić, M., Lučić, B., Gall Trošelj, K. & Stepanić, V. (2018) he Influence of In Vivo Metabolic Modifications on ADMET Properties of Green Tea Catechins-In Silico Analysis. Journal of pharmaceutical sciences, 107 (11), 2957-2964 doi:10.1016/j.xphs.2018.07.026.

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• Perin, N., Starčević, K., Perić, M., Čipčić Paljetak, H., Matijašić, M., Stepanić, V., Verbanac, D., Karminski-Zamola, G. & Hranjec, M. (2017) Synthesis and SAR study of novel amidino 2-substituted benzimidazoles as potential antibacterial agents. Croatica chemica acta, 90 (2), 145-154 doi:10.5562/cca3147.

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• Egea, J., Fabregat, I., Frapart, Y., Ghezzi, P., Žarković, N. & et all. (2017) European contribution to the study of ROS: A summary of the findings and prospects for the future from the COST action BM1203 (EU-ROS). Redox Biology, 13, 94-162 doi:10.1016/j.redox.2017.05.007.

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• Amić, A., Lučić, B., Stepanić, V., Marković, Z., Marković, S., Dimitrić Marković, J. & Amić, D. (2017) Free radical scavenging potency of quercetin catecholic colonic metabolites: thermodynamics of 2H+/2e- processes. Food chemistry, 218, 144-151 doi:10.1016/j.foodchem.2016.09.018.

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• Gazivoda Kraljević, T., Harej, A., Sedić, M., Kraljević Pavelić, S., Stepanić, V., Drenjančević, D., Talapko, J. & Raić-Malić, S. (2016) Synthesis, in vitro anticancer and antibacterial activities and in silico studies of new 4-substituted 1,2,3-triazole–coumarin hybrids. European journal of medicinal chemistry, 124, 794-808 doi:10.1016/j.ejmech.2016.08.062.

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• Verbanac, D., Malik, R., Chand, M., Kushwaha, K., Vashist, M., Matijašić, M., Stepanić, V., Perić, M., Čipčić Paljetak, H., Saso, L. & Jain, S. (2016) Synthesis and evaluation of antibacterial and antioxidant activity of novel 2-phenyl-quinoline analogs derivatized at position 4 with aromatically substituted 4H-1, 2, 4-triazoles. Journal of enzyme inhibition and medicinal chemistry, 31 (supp. 2), 104-110 doi:10.1080/14756366.2016.1190714.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Lučić, B., Stepanić, V. & Amić, D. (2016) The 2H+/2e− free radical scavenging mechanisms of uric acid: thermodynamics of N-H bond cleavage. Computational and Theoretical Chemistry, 1077, 2-10 doi:10.1016/j.comptc.2015.09.003.

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• Stepanić, V., Čipak Gašparović, A., Gall Trošelj, K., Amić, D. & Žarković, N. (2015) Selected attributes of polyphenols in targeting oxidative stress in cancer. Current topics in medicinal chemistry, 15 (5), 496-509 doi:10.2174/1568026615666150209123100.

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• Stolić, I., Čipčić Paljetak, H., Perić, M., Matijašić, M., Stepanić, V., Verbanac, D. & Bajić, M. (2015) Synthesis and structure–activity relationship of amidine derivatives of 3, 4-ethylenedioxythiophene as novel antibacterial agents. European journal of medicinal chemistry, 90, 68-81 doi:10.1016/j.ejmech.2014.11.003.

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• Đorović, J., Dimitrić Marković, J., Stepanić, V., Begović, N., Amić, D. & Marković, Z. (2014) Influence of different free radicals on scavenging potency of gallic acid. Journal of molecular modeling, 20 (7), 2345-1 doi:10.1007/s00894-014-2345-y.

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• Gazivoda Kraljević, T., Ilić, N., Stepanić, V., Sappe, L., Petranović, J., Kraljević Pavelić, S. & Raić-Malić, S. (2014) Synthesis and in vitro antiproliferative evaluation of novel N-alkylated 6-isobutyl- and propyl pyrimidine derivatives. Bioorganic & medicinal chemistry letters, 24 (13), 2913-2917 doi:10.1016/j.bmcl.2014.04.079.

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• Lučić, B., Stepanić, V., Plavšić, D., Amić, A. & Amić, D. (2014) Correlation between 13C NMR chemical shifts and antiradical activity of flavonoids. Monatshefte für Chemie, 145 (3), 457-463 doi:10.1007/s00706-013-1130-4.

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• Amić, A., Marković, Z., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2014) Towards an improved prediction of the free radical scavenging potency of flavonoids: The significance of double PCET mechanisms. Food chemistry, 152, 578-585 doi:10.1016/j.foodchem.2013.12.025.

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• Šaban, N., Stepanić, V., Vučinić, S., Horvatić, A., Cindrić, M., Perković, I., Zorc, B., Oršolić, N., Mintas, M., Pavelić, K. & Kraljević Pavelić, S. (2013) Antitumor mechanisms of amino acid hydroxyurea derivatives in the metastatic colon cancer model. International journal of molecular sciences, 14 (12), 23654-23671 doi:10.3390/ijms141223654.

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• Stepanić, V., Gall Trošelj, K., Lučić, B., Marković, Z. & Amić, D. (2013) Bond dissociation free energy as a general parameter for flavonoid radical scavenging activity. Food chemistry, 141 (2), 1562-1570 doi:10.1016/j.foodchem.2013.03.072.

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• Munić Kos, V., Koštrun, S., Fajdetić, A., Bosnar, M., Kelnerić, Ž., Stepanić, V. & Eraković Haber, V. (2013) Structure-property relationship for cellular accumulation of macrolones in human polymorphonuclear leukocytes (PMNs). European journal of pharmaceutical sciences, 49 (2), 206-219 doi:10.1016/j.ejps.2013.02.019.

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• Amić, D., Stepanić, V., Lučić, B., Marković, Z. & Dimitrić Marković, J. (2013) PM6 study of free radical scavenging mechanisms of flavonoids: why does O–H bond dissociation enthalpy effectively represent free radical scavenging activity?. Journal of molecular modeling, 19 (6), 2593-2603 doi:10.1007/s00894-013-1800-5.

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• Ilijaš, M., Malnar, I., Gabelica Marković, V. & Stepanić, V. (2013) Study of lipophilicity and membrane partition of 4-hydroxycoumarins by HPLC and PCA. Journal of pharmaceutical and biomedical analysis, 76, 104-111 doi:10.1016/j.jpba.2012.11.043.

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• Racané, L., Kraljević Pavelić, S., Ratkaj, I., Stepanić, V., Pavelić, K., Tralić-Kulenovića, V. & Karminski-Zamola, G. (2012) Synthesis and antiproliferative evaluation of some new amidino-substituted bis-benzothiazolyl-pyridines and pyrazine. European journal of medicinal chemistry, 55, 108-116 doi:10.1016/j.ejmech.2012.07.005.

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• Marković, Z., Milenković, D., Đorović, J., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2012) Free radical scavenging activity of morin 2’-O− phenoxide anion. Food chemistry, 135 (3), 2070-2077 doi:10.1016/j.foodchem.2012.05.119.

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• Verbanac, D., Jain, S., Jain, N., Chand, M., Čipčić Paljetak, H., Matijašić, M., Perić, M., Stepanić, V. & Saso, L. (2012) An efficient and convenient microwave-assisted chemical synthesis of (thio)xanthones with additional in vitro and in silico characterization. Bioorganic & medicinal chemistry, 20 (10), 3180-3185 doi:10.1016/j.bmc.2012.03.074.

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• Stepanić, V., Žiher, D., Gabelica-Marković, V., Jelić, D., Nunhuck, S., Valko, K. & Koštrun, S. (2012) Physicochemical profile of macrolides and their comparison with small molecules. European journal of medicinal chemistry, 47, 462-472 doi:10.1016/j.ejmech.2011.11.016.

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• Rubelj, I., Stepanić, V., Jelić, D., Škrobot Vidaček, N., Ćukušić Kalajžić, A., Ivanković, M., Nujić, K., Matijašić, M. & Verbanac, D. (2012) Tebrophen—An Old Polyphenol Drug with Anticancer Potential. Molecules, 17 (7), 7864-7886 doi:10.3390/molecules17077864.

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• Marković, Z., Milenković, D., Đorović, J., Dimitrić Marković, J., Stepanić, V., Lučić, B. & Amić, D. (2012) PM6 and DFT study of free radical scavenging activity of morin. Food chemistry, 134 (4), 1754-1760 doi:10.1016/j.foodchem.2012.03.124.

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• Stepanić, V., Koštrun, S., Malnar, I., Hlevnjak, M., Butković, K., Ćaleta, I., Dukši, M., Kragol, G., Makaruha-Stegić, O., Mikac, L., Ralić, J., Tatić, I., Tavčar, B., Valko, K., Zulfikari, S. & Munić. Vesna (2011) Modeling Cellular Pharmacokinetics of 14- and 15-membered Macrolides with Physicochemical Properties. Journal of medicinal chemistry, 54 (3), 719-733 doi:10.1021/jm101317f.

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• Jelić, D., Nujić, K., Stepanić, V., Krunoslav, K. & Verbanac, D. (2011) 6-Imino-2-thioxo-pyrimidinones as a new class of dipeptidyl peptidase IV inhibitors. Medicinal chemistry research, 20 (3), 339-345 doi:10.1007/s00044-010-9314-5.

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• Stepanić, V., Baranović, G. & Smrečki, V. (2001) Structure and vibrational spectra of conjugated acids of trans- and cis-azobenzene. Journal of molecular structure, 569, 89-109.

• Stepanić, V. & Baranović, G. (2000) Ground and excited states of isodiazene - an ab initio study. Chemical Physics, 254, 151-168.

• Stepanić, V. & Sekušak, S. (2000) Theoretical approaches to chemical reactivity. 2. Statistical appraoch. Kemija u industriji, 49 (12), 519-525.

• Šimek, V. & Živković, T. (1998) Ground-state properties of benzenoid hydrocarbons by simple bond orbital resonance theory approach. Journal of mathematical chemistry, 24 (1-3), 155-168 doi:10.1023/A:1019122703396.

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• Šimek, V. & Živković, T. (1997) Analysis of MO ground states of benzenoid hydrocarbons in terms of BORT resonance structures. Croatica chemica acta, 70 (3), 757-775.

Conference proceedings papers

Scientific conference proceedings papers

• Pehar, V., Oršolić, D. & Stepanić, V. (2019) Drug-likeness, herbicide-likeness and toxicity of herbicidal compounds – in silico analysis. U: Tomas, S. & Ačkar, Đ. (ur.)proceedings: 17th Ružička Days “Today Science – Tomorrow Industry” = Zbornik radova: 17. Ružičkini dani „Danas znanost – sutra industrija:. (https://www.bib.irb.hr/1000991).

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• Amić, D., Stepanić, V., Lučić, B., Marković, Z. & Dimitrić Marković, J. (2013) Why does O–H bond dissociation enthalpy effectively represent free radical scavenging activity of flavonoids?. U: -. (ur.)PROCEEDINGS IConSSM 2011 Proceedings of the 4th International Congress of Serbian Society of Mechanics.

Theses

Doctoral dissertation

• Stepanić, V. (2001) 'Spectroscopic and ab initio studies of proton transfer in protonated diazene and some substituted azo compounds', doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb.

Master thesis

• Šimek, V. (1996) 'Description of polycyclic conjugated hydrocarbons by bond orbital resonance theory', magistarski rad, Prirodoslovno-matematički fakultet, Zagreb.