74. K. Ostrowska, G. Horosz, K. Kruk, B. Sieroń, A. Leśniak, Z. Czartoryska, M. Bujalska-Zadrożny, D. Milenkovic, B. Trzaskowski, "Exploring the Potential of Coumarin Derivatives on Serotonin Receptors 5-HT1A and 5HT2A", Int. J. Mol. Sci. 26, 1946 (2025).

73. E. Avdović, M. Antonijević, D. Simijonović, M. Grujović, K. Marković, D. Milenković, A. Ćirić, Z. Marković, "Ultrasound-assisted extraction of bioactive phenolics from Marselan and Shiraz grape skins: A step toward circular economy in food and pharmaceutical industry", LWT 224, 117817 (2025).

72. J. Dimitrić Marković, D. Dimić, T. Eichhorn, D. Milenković, A. Pavićević, D. Đikić, E. Živković, V. Čokić, T. Rüffer, G.N. Kaluđerović, "Ru(II) Complexes with 3,4-Dimethylphenylhydrazine: Exploring In Vitro Anticancer Activity and Protein Affinities", Biomolecules 15, 350 (2025).

71. T.M. Mladenović, V.M. Matejić, S.B. Novaković, G.A. Bogdanović, D.A. Milenković, E.H. Avdović, M.R. Antonijević, Z.S. Marković, D.M. Simijonović, "Synthesis, structural characterization, and ADMET analysis of new pyrazol-pyrimidine derivatives", J. Mol. Struct. (2025).

70. T. Eichhorn, M. Đošić, D. Dimić, I. Morgan, D. Milenković, R. Rennert, A. Amić, Z. Marković, G.N. Kaluđerović, J. Dimitrić Marković, "Ru(II)‐Nitrophenylhydrazine/Chlorophenylhydrazine Complexes: Nanoarchitectonics, Biological Evaluation and In silico Study", Eur. J. Inorg. Chem. (2024).

69. T. Mladenović, D. Simijonović, T. Rüffer, G.N. Kaluđerović, D. Milenković, S. Jovičić Milić, E. Avdović, Z. Marković, "Green synthesis, structural characterization, BSA binding and NLO properties of newly synthesized pyrazol-chromeno[2,3-d]pyrimidine derivative: An experimental and theoretical studies", J. Mol. Struct. (2024).

68. M. Jevtić, M. Stanojević Pirković, T. Komazec, M. Mojić, S. Mijatović, D. Maksimović-Ivanić, D. Dimić, Z. Marković, D. Simijonović, D. Milenković, E. Avdović, "A Comprehensive Evaluation of a Coumarin Derivative and Its Corresponding Palladium Complex as Potential Therapeutic Agents in the Treatment of Gynecological Cancers: Synthesis, Characterization, and Cytotoxicity", Pharmaceutics 16, 1437 (2024).

67. D. Simijonović, E. Avdović, S.J. Milić, M. Antonijević, D. Milenković, K. Marković, M. Grujović, D. Lj. Stojković, M. Dekić, Z. Marković, "Investigation of Antimicrobial and Anti-Inflammatory Efficacy of Newly Synthesized Pyrogallol-Coumarin Hybrids: In Vitro and In Silico Studies", Pharmaceutics 16, 1472 (2024).

66. J. Džodić, M. Marković, D. Milenković, D. Dimić, "Molecular Aspects of the Interactions between Selected Benzodiazepines and Common Adulterants/Diluents: Forensic Application of Theoretical Chemistry Methods", Int. J. Mol. Sci. 25, 10087 (2024).

65. E. Mavric-Scholze, D. Simijonović, E. Avdović, D. Milenković, S. Šaćirović, A. Ćirić, Z. Marković, "Comparative analysis of antioxidant activity and content of (poly)phenolic compounds in cabernet sauvignon and merlot wines of Slovenian and Serbian vineyards", Food Chem.: X (2024).

64. T. Dragojević, E. Živković, M. Diklić, O.M. Ajtić, M. Lazarević, T. Subotički, D. Đikić, J.F. Santibanez, D. Milenković, J.D. Marković, C.T. Noguchi, A.N. Schechter, V.P. Čokić, M. Vukotić, "Hydroxyurea inhibits proliferation and stimulates apoptosis through inducible nitric oxide synthase in erythroid cells", Biomed. Pharmacother. 181, 117723 (2024).

63. D. Milenković, D. Dimić, E. Avdović, D. Simijonović, R. Vojinović, Z. Marković, "A thermodynamic and kinetic HO radical scavenging study and protein binding of baicalein", J. Chem. Thermodyn. 185, 107110 (2023).

62. J. Džodić, D. Milenković, M. Marković, Z. Marković, D. Dimić, "Application of Quantum–Chemical Methods in the Forensic Prediction of Psychedelic Drugs’ Spectra (IR, NMR, UV–VIS, and MS): A Case Study of LSD and Its Analogs", Appl. Sci. 13, 2984 (2023).

61. D. Dimić, T. Eichhorn, D. Milenković, G.N. Kaluđerović, "Synthesis, Structural, and Quantum Chemical Analysis of Neutral and Cationic Ruthenium(II) Complexes with Nicotinate-Polyethylene Glycol Ester Ligands", Inorganics 11, 460 (2023).

60. Ž. Milanović, D. Dimic, M. Antonijević, M. Žižić, D. Milenković, E. Avdović, Z. Marković, "Influence of acid-base equilibria on the rate of the chemical reaction in the advanced oxidation processes: Coumarin derivatives and hydroxyl radical", Chem. Eng. J. 453, 139648 (2023).

59. D.M. Simijonović, D.A. Milenković, E.H. Avdović, Ž.B. Milanović, M.R. Antonijević, A.D. Amić, Z. Dolićanin, Z.S. Marković, "Coumarin N-Acylhydrazone Derivatives: Green Synthesis and Antioxidant Potential—Experimental and Theoretical Study", Antioxidants 12, 1858 (2023).

58. V. Jevtovic, A.K. Alshamari, D. Milenković, J. Dimitrić Marković, Z. Marković, D. Dimić, "The Effect of Metal Ions (Fe, Co, Ni, and Cu) on the Molecular-Structural, Protein Binding, and Cytotoxic Properties of Metal Pyridoxal-Thiosemicarbazone Complexes", Int. J. Mol. Sci. 24, 11910 (2023).

57. T. Eichhorn, F. Kolbe, M. Misic, D. Dimic, I. Morgan, M. Saoud, D. Milenkovic, Z. Marković, T. Ruffer, J. Dimitrić Marković, G. Kaluđerović, "Synthesis, Crystallographic Structure, Theoretical Analysis, Molecular Docking Studies, and Biological Activity Evaluation of Binuclear Ru(II)-1-Naphthylhydrazine Complex", Int. J. Mol. Sci. 24, 689 (2023).

56. J. Vasić, D. Dimić, M. Antonijević, E.H. Avdović, D. Milenković, Đ. Nakarada, J. Dimitrić Marković, M. Molnar, M. Lončarić, D. Bešlo, Z. Marković, "The Electronic Effects of 3-Methoxycarbonylcoumarin Substituents on Spectral, Antioxidant, and Protein Binding Properties", Int. J. Mol. Sci. 24, 11820 (2023).

55. V. Jevtovic, M.S.O. Alhar, D. Milenković, Z. Marković, J. Dimitrić Marković, D. Dimić, "Synthesis, Structural Characterization, Cytotoxicity, and Protein/DNA Binding Properties of Pyridoxylidene-Aminoguanidine-Metal (Fe, Co, Zn, Cu) Complexes", Int. J. Mol. Sci. 24, 14745 (2023).

54. P. Stanić, B. Šmit, D. Milenkovic, "Kinetics and mechanism of amino acid derived 2-thiohydantoin formation reactions", React. Chem. Eng. 8, 699–706 (2023).

53. Z. Marković, A.V. Komolkin, A.V. Egorov, D. Milenković, S. Jeremić, "Alizarin as a potential protector of proteins against damage caused by hydroperoxyl radical", Chem. Biol. Interact. 373, 110395 (2023).

52. T. Mićović, J.S. Katanić Stanković, R. Bauer, X. Nöst, Z. Marković, D. Milenković, V. Jakovljević, M. Tomović, J. Bradić, D. Stešević, D. Stojanović, Z. Maksimović, "In vitro, in vivo and in silico evaluation of the anti-inflammatory potential of Hyssopus officinalis L. subsp. aristatus (Godr.) Nyman (Lamiaceae)", J. Ethnopharmacol. 293, 115201 (2022).

51. D. Šeklić, T. Djukic, D. Milenkovic, M. Jovanović, M. Živanović, Z. Marković, N. Filipovic, "Numerical modelling of WNT/β-catenin signal pathway in characterization of EMT of colorectal carcinoma cell lines after treatment with Pt(IV) complexes", Comput. Methods Programs Biomed. 226, 107158 (2022).

50. D.S. Dimic, G.N. Kaluderović, E.H. Avdović, D. Milenković, M.N. Živanović, I. Potocnak, E. Samolova, M. Dimitrijević, L. Saso, Z.S. Marković, J. Dimitrić-Marković, "Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives", Int. J. Mol. Sci. 23, 1001 (2022).

49. A. Daghighi, G.M. Casañola Martin, T. Timmerman, D. Milenkovic, B. Luĉić, B. Rasulev, "In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach", Toxics 10, 746 (2022).

48. Z. Milanović, D. Dimic, M. Žižić, D. Milenković, Z. Marković, E. Avdović, "Mechanism of Antiradical Activity of Newly Synthesized 4,7-Dihydroxycoumarin Derivatives-Experimental and Kinetic DFT Study", Int. J. Mol. Sci. 22, 13273 (2021).

47. A.D. Amic, D.A. Milenkovic, Z.S. Markovic, D.M. Cagardova, P.J. Rodriguez-Guerra, J.M. Dimitric-Markovic, "Impact of the phenolic O-H vs. C-ring C-H bond cleavage on the antioxidant potency of dihydrokaempferol", New J. Chem. 45, 7977–7986 (2021).

46. Ž. Milanović, M. Antonijević, A.D. Amić, E.H. Avdović, D. Dimić, D. Milenković, Z. Marković, "Inhibitory activity of quercetin, its metabolite, and standard antiviral drugs towards enzymes essential for SARS-CoV-2: the role of acid-base equilibria", RSC Adv. 11, 2838–2847 (2021).

45. Ž. Milanović, D. Dimic, E. Avdović, D. Milenkovic, J. Dimitrić Marković, O. Klisuric, V. Trifunovic, Z. Marković, "Synthesis and comprehensive spectroscopic (X-ray, NMR, FTIR, UV–Vis), quantum chemical and molecular docking investigation of 3-acetyl-4‑hydroxy‑2-oxo-2H-chromen-7-yl acetate", J. Mol. Struct. 1225, 129256 (2021).

44. D. Dimić, D.A. Milenković, E.H. Avdović, Đ. Nakarada, J. Dimitrić-Marković, Z.S. Marković, "Advanced oxidation processes of coumarins by hydroperoxyl radical: An experimental and theoretical study, and ecotoxicology assessment", Chem. Eng. J. 424, 130331 (2021).

43. A. Amić, J. Dimitrić-Marković, Z. Marković, D. Milenković, Ž. Milanović, M. Antonijević, C.D. Mastiľák, P.J. Rodríguez-Guerra, "Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation: The Role of Ferulic Acid in Skin Protection against UVA Induced Oxidative Stress", Antioxidants 10, 1303 (2021).

42. D. Milenković, E. Avdović, D. Dimić, S. Sudha, D. Ramarajan, Ž. Milanović, S. Trifunović, Z. Marković, "Vibrational and Hirshfeld surface analyses, quantum chemical calculations, and molecular docking studies of coumarin derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and its corresponding palladium(II) complex", J. Mol. Struct. 1209, 127935 (2020).

41. D. Ramarajan, K. Tamilarasan, Ž. Milanović, D. Milenković, Z. Marković, S. Sudha, E. Kavitha, "Vibrational spectroscopic studies (FTIR and FT-Raman) and molecular dynamics analysis of industry inspired 3-amino-4-hydroxybenzene sulfonic acid", J. Mol. Struct. 1205, 127579 (2020).

40. D. Dimić, Ž. Milanović, G. Jovanović, D. Sretenović, D. Milenković, Z. Marković, J. Dimitrić-Marković, "Comparative antiradical activity and molecular Docking/Dynamics analysis of octopamine and norepinephrine: the role of OH groups", Comput. Biol. Chem. 84, 107170 (2020).

39. D. Milenković, D. Dimić, E. Avdović, Z.S. Marković, "Several coumarin derivatives and their Pd(ii) complexes as potential inhibitors of the main protease of SARS-CoV-2, an in silico approach", RSC Adv. 10, 35099–35108 (2020).

38. A. Amić, Z. Marković, J. Dimitrić-Marković, D. Milenković, V. Stepanić, "Antioxidative potential of ferulic acid phenoxyl radical", Phytochemistry 170, 112218 (2020).

37. D. Milenković, D. Dimić, E. Avdović, A.D. Amić, J. Dimitrić-Marković, Z. Marković, "Advanced oxidation process of coumarins by hydroxyl radical: Towards the new mechanism leading to less toxic products", Chem. Eng. J. 395, 124971 (2020).

36. J. Đorović Jovanović, D. Milenković, L. Joksović, M. Joksović, Z. Marković, "Study of Influence of Free Radical Species on Antioxidant Activity of Selected 1,2,4‐Triazole‐3‐thiones", ChemistrySelect 4, 7476–7485 (2019).

35. V. Stepanić, S. Matić, A. Amić, B. Lučić, D. Milenković, Z. Marković, "Effects of conjugation metabolism on radical scavenging and transport properties of quercetin – In silico study", J. Mol. Graph. Model. 86, 278–285 (2019).

34. E. Avdović, D. Stojković, V. Jevtić, D. Milenković, Z. Marković, N. Vuković, I. Potočňák, I. Radojević, L. Čomić, S. Trifunović, "Preparation and antimicrobial activity of a new palladium(II) complexes with a coumarin-derived ligands. Crystal structures of the 3-(1-(o-toluidino)ethylidene)-chroman-2,4-dione and 3-(1-(m-toluidino) ethylidene)-chroman-2,4-dione", Inorg. Chim. Acta 484, 52–59 (2019).

33. D. Ramarajan, K. Tamilarasan, D. Milenković, Z. Marković, S. Sudha, P. Subhapriya, "Experimental and theoretical investigations of an organic nonlinear optical material p-toluidinium picrate – A comparative study", J. Mol. Struct. 1195, 73–84 (2019).

32. A. Amić, Z. Marković, J. Dimitrić Marković, D. Milenković, B. Lučić, "The role of guaiacyl moiety in free radical scavenging by 3,5-dihydroxy-4-methoxybenzyl alcohol: thermodynamics of 3H⁺/3e⁻ mechanisms", Mol. Phys. 117, 207–217 (2019).

31. D. Milenković, J. Dimitrić-Marković, D. Dimić, S. Jeremić, A. Amić, P.M. Stanojević, Z. Marković, "Structural characterization of kaempferol: A spectroscopic and computational study", Maced. J. Chem. Chem. Eng. 38, 49 (2019).

30. D. Dimić, D. Milenković, Z. Marković, J. Dimitrić Marković, "The reactivity of dopamine precursors and metabolites towards ABTS^{• -}: An experimental and theoretical study", J. Serb. Chem. Soc. 84, 877–889 (2019).

29. Z. Marković, M. Filipović, N. Manojlović, A. Amić, S. Jeremić, D. Milenković, "QSAR of the free radical scavenging potency of selected hydroxyanthraquinones", Chem. Pap. 72, 2785–2793 (2018).

28. D. Milenkovic, E. Avdović, D. Dimic, Z. Bajin, B. Ristic, N. Vukovic, S. Trifunović, Z. Marković, "Reactivity of the coumarine derivative towards cartilage proteins: combined NBO, QTAIM, and molecular docking study", Monatsh. Chem. 149, 159–166 (2018).

27. J. Đorović Jovanović, V. Petrović, E. Avdović, Z. Marković, D. Milenkovic, "Hydrogen atom transfer versus proton coupled electron transfer mechanism of gallic acid with different peroxy radicals", React. Kinet. Mech. Catal. 123, 215–230 (2018).

26. A. Amić, Z. Marković, E. Klein, J. Dimitrić-Marković, D. Milenković, "Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives", Food Chem. 246, 481–489 (2018).

25. D. Dimić, D.A. Milenković, J. Dimitrić Marković, Z.S. Marković, "Thermodynamic and kinetic analysis of the reaction between biological catecholamines and chlorinated methylperoxy radicals", Mol. Phys. 116, 1166–1178 (2018).

24. E. Avdović, D. Milenković, J. Dimitrić-Marković, J. Đorović Jovanović, N. Vuković, M.D. Vukić, V. Jevtić, S. Trifunović, I. Potočňák, Z. Marković, "Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione", Spectrochim. Acta A 195, 31–40 (2018).

23. D. Dimić, D. Milenković, J. Ilić, B. Šmit, A. Amić, Z. Marković, J. Dimitrić-Marković, "Experimental and theoretical elucidation of structural and antioxidant properties of vanillylmandelic acid and its carboxylate anion", Spectrochim. Acta A 198, 61–70 (2018).

22. D. Dimić, D. Milenković, Z. Marković, J. Dimitrić-Marković, "Structural and spectral analysis of 3-metoxytyramine, an important metabolite of dopamine", J. Mol. Struct. 1134, 226–236 (2017).

21. E. Avdović, D. Milenković, J. Dimitrić-Marković, N. Vuković, S. Trifunović, Z. Marković, "Structural, spectral and NBO analysis of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione", J. Mol. Struct. 1147, 69–75 (2017).

20. D. Dimić, D. Milenković, J. Dimitrić-Marković, Z. Marković, "Antiradical activity of catecholamines and metabolites of dopamine: theoretical and experimental study", Phys. Chem. Chem. Phys. 19, 12970–12980 (2017).

19. D. Milenković, J. Đorović Jovanović, S. Jeremić, J. Dimitrić-Marković, E. Avdović, Z. Marković, "Free Radical Scavenging Potency of Dihydroxybenzoic Acids", J. Chem. 2017, 1–9 (2017).

18. M. Dekić, R. Kolašinac, N. Radulović, B. Šmit, A. Amić, K. Molčanov, D. Milenković, Z. Marković, "Synthesis and theoretical investigation of some new 4-substituted flavylium salts", Food Chem. 229, 688–694 (2017).

17. J. Tošović, S. Marković, J. Dimitrić-Marković, M. Mojović, D. Milenković, "Antioxidative mechanisms in chlorogenic acid", Food Chem. 237, 390–398 (2017).

16. J. Dimitrić-Marković, B. Pejin, D. Milenković, A. Amic, N. Begović, M. Mojović, Z.S. Marković, "Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms", Food Chem. 218, 440–446 (2017).

15. Z. Marković, J. Tošović, D. Milenković, S. Marković, "Revisiting the solvation enthalpies and free energies of the proton and electron in various solvents", Comput. Theor. Chem. 1077, 11–17 (2016).

14. N. Mihailović, L. Jovanović, Z. Marković, V. Marković, M. Joksović, D. Milenković, P.T. Djurdjević, A. Ćirić, L. Joksović, "Potent 1,2,4-Triazole-3-thione Radical Scavengers Derived from Phenolic Acids: Synthesis, Electrochemistry, and Theoretical Study", ChemistrySelect 1, 3870–3878 (2016).

13. B. Šmit, R.Z. Pavlović, D. Milenković, Z. Marković, "Mechanism, kinetics and selectivity of selenocyclization of 5-alkenylhydantoins: An experimental and computational study", Beilstein J. Org. Chem. 11, 1865–1875 (2015).

12. J. Dimitrić-Marković, D. Milenković, A. Amić, A. Popović-Bijelić, M. Mojović, I. Pašti, Z. Marković, "Energy requirements of the reactions of kaempferol and selected radical species in different media: Towards the prediction of the possible radical scavenging mechanisms", Struct. Chem. 25, 1795–1804 (2014).

11. J. Dimitrić-Marković, D. Milenković, A. Amić, M. Mojović, I. Pašti, Z. Marković, "The preferred radical scavenging mechanisms of fisetin and baicalein towards oxygen-centred radicals in polar protic and polar aprotic solvents", RSC Adv. 4, 32228–32236 (2014).

10. Z. Marković, A. Amić, D. Milenković, J. Dimitrić-Marković, S. Marković, "Examination of the chemical behavior of the quercetin radical cation towards some bases", Phys. Chem. Chem. Phys. 15, 7370 (2013).

9. J.M. Dimitrić Marković, Z.S. Markovic, J. Krstić, D. Milenkovic, B. Lucic, A. Amić, "Interpretation of the IR and Raman spectra of morin by density functional theory and comparative analysis", Vib. Spectrosc. 64, 1–9 (2013).

8. Z. Marković, D. Milenković, J. Đorović Jovanović, J. Dimitrić-Marković, B. Lučić, A. Amić, "A DFT and PM6 study of free radical scavenging activity of ellagic acid", Monatsh. Chem. 144, 803–812 (2013).

7. Z. Marković, D. Milenković, J. Dorović, J. Dimitrić Marković, V. Stepanić, B. Lučić, A. Amić, "Free radical scavenging activity of morin 2′-O(-) phenoxide anion", Food Chem. 135, 2070–2077 (2012).

6. Z. Marković, D. Milenković, J. Đorović Jovanović, J. Dimitrić-Marković, V. Stepanić, B. Lučić, A. Amić, "PM6 and DFT study of free radical scavenging activity of morin", Food Chem. 134, 1754–1760 (2012).

5. T. Brdarić, Z. Marković, D. Milenković, J. Dimitrić-Marković, "A joint application of vibrational spectroscopic and quantum mechanical methods in quantitative analysis of baicalein structure", Monatsh. Chem. 143, 1369–1378 (2012).

4. Z. Marković, S. Markovic, J. Dimitrić Marković, D. Milenkovic, "Structure and reactivity of baicalein radical cation", Int. J. Quantum Chem. 112, 2009–2017 (2012).

3. J.M. Dimitrić-Marković, Z.S. Marković, D.A. Milenković, S.R. Jeremić, "Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure", Spectrochim. Acta A 83, 120–129 (2011).

2. Z.S. Markovic, S. Markovic, S. J.M. Dimitric-Markovic, D. Milenkovic, "Mechanistic study of the structure-activity relationship for the free radical scavenging activity of baicalein", J. Mol. Model. 17, 2575–2584 (2011).

1. Z.S. Markovic, J.M. Dimitric-Markovic, D. Milenkovic, N. Filipovic, "Structural and electronic features of baicalein and its radicals", Monatsh. Chem. 142, 145–152 (2011).