Research

Journal articles

2026

• Antonijević, M., Đorović Jovanović, J., Pirković, M. S., Glišić, M., Antonijević, A., & Jeremić, S. (2026). Donepezil Derivatives as Potential Dual AChE/BChE Inhibitors: Fragment-Based Design, AI-Assisted Retrosynthesis, and In Silico Evaluation. Compounds, 6(3), 45. doi:10.3390/compounds6030045
• Edeler, D., Bovan, D., Krajnović, T., Ilić, J., Dunđerović, D., Kaluđerović, M. R., Antonijević, M. R., Mijatović, S., Maksimović-Ivanić, D., & Kaluđerović, G. N. (2026). SBA-15 nanostructures enable tumor-selective delivery of Ph4Sn with enhanced anticancer activity in melanoma models. European Journal of Medicinal Chemistry, 316, 119020. doi:10.1016/j.ejmech.2026.119020
• Antonijević, A., Leka, Z., Perutović, M. K., Bogojeski, J., Antonijević, M., Latinović, N., & Kaluđerović, G. N. (2026). Synthesis, spectroscopic characterization and BioInteraction Profiling of Novel Dithiocarbamato-Based Zn(II) Complexes. Journal of Molecular Structure, 146146. doi:10.1016/j.molstruc.2026.146146

2025

• Bradić, J., Petrovic, A., Joksimovic Jovic, J., Simic, M., Stankovic, V., Matic, S., Antonijevic, M., … & Kocovic, A. (2025). From Vineyard to Hydrogel: Antioxidant, Anti-Inflammatory, and Regenerative Potential of Grape Skin Extract in Diabetic Wound Repair. Pharmaceutics, 17(11), 1464. doi:10.3390/pharmaceutics17111464
• Milanović, Ž., Mrkalić, E., Antonijević, M., Rüffer, T., Simić, V., Milošević, M., & Kaluđerović, G. (2025). Exploring (alkyl-ω-ol)triphenyltin(IV) compounds as renin inhibitors: Structural insights, binding dynamics, and pharmacokinetic profiling for antihypertensive therapy. Inorganic Chemistry Communications, 115329. doi:10.1016/j.inoche.2025.115329
• Milisavljević, K., Milanović, Ž., Matić, J., Antonijević, M., Simić, V., Milošević, M., … & Kaluđerović, G. N. (2025). (Alkyl-ω-ol)triphenyltin(IV)-Loaded Mesoporous Silica as Biocompatible Potential Neuroprotectors: Evaluation of Inhibitory Activity Against Enzymes Associated with the Pathophysiology of Alzheimer’s Disease. Nanomaterials, 15(12), 914. doi:10.3390/nano15120914
• Petrušić, A., Mrkalić, E., Jelić, R., Kočović, A., Milosavljević, M., Antonijević, M., & Sovrlić, M. (2025). Quercetin, Catechin, and Diosmin as Modulators of Haloperidol–HSA Interactions: A Biophysical and Computational Study. International Journal of Molecular Sciences, 26(14), 6834.
• Avdović, E., Dimić, D., Nakarada, Đ., Simijonović, D., Jovičić Milić, S., Marković, K., Grujović, M., Antonijević, M., Ćirić, A., Milenković, D., Marković, Z. (2025). Evaluation of Bioactive Properties of Ultrasound-Assisted Extracts from Prokupac Grape Skins for Functional Foods. Antioxidants, 14(6), 733. doi:10.3390/antiox14060733
• Jeremić, S., Milanović, Ž., Đorović Jovanović, J., Antonijević, M., & Janković, N. (2025). Clarification of the Mechanism of Antioxidant Activity of Selected Vanillin-Based Pyrido-Dipyrimidines and Their Antibacterial Activity According to Bacillus subtilis – In Silico Approach. Chemistry & Biodiversity, e202500734. doi:10.1002/cbdv.202500734
• Avdović, E., Antonijević, M., Simijonović, D., Grujović, M., Marković, K., Milenković, D., … & Marković, Z. (2025). Ultrasound-Assisted Extraction of Bioactive Phenolics from Marselan and Shiraz Grape Skins: A Step Toward Circular Economy in Food and Pharmaceutical Industry. LWT, 117817. doi:10.1016/j.lwt.2025.117817
• Milanović, Ž., Jeremić, S., Jovanović, J. Đ., Antonijević, M., & Milisavljević, K. (2025). Rational Computational Design of Bergaptol Derivatives: Antioxidant Potential and CYP3A4 Inhibitory Activity. ChemistrySelect, 10(18), e202500375. doi:10.1002/slct.202500375
• Mladenović, T. M., Matejić, V. M., Novaković, S. B., Bogdanović, G. A., Milenković, D. A., Avdović, E. H., Antonijević, M., Marković, Z., Simijonović, D. M. (2025). Synthesis, structural characterization, and ADMET analysis of new pyrazol-pyrimidine derivatives. Journal of Molecular Structure, 1325, 140939. doi:10.1016/j.molstruc.2024.140939

2024

• Milanović, Ž., Antonijević, M., Avdović, E., Simić, V., Milošević, M., Dolićanin, Z., Kojić, M., Marković, Z. (2024). In silico evaluation of pharmacokinetic parameters, delivery, distribution and anticoagulative effects of new 4,7-dihydroxycoumarin derivative. Journal of Biomolecular Structure and Dynamics, 42(16), 8343–8358. doi:10.1080/07391102.2023.2245071
• Antonijević, M., Avdović, E., Simijonović, D., Milanović, Ž., Žižić, M., Marković, Z. (2024). Investigation of novel radical scavenging mechanisms in the alkaline environment: Green, sustainable and environmentally friendly antioxidative agent(s). Science of the Total Environment, 912, 169307. doi:10.1016/j.scitotenv.2023.169307
• Simijonović, D., Avdović, E., Jovičić Milić, S., Antonijević, M., Milenković, D., Marković, K., Grujović, M., Stojković, D., Dekić, M., Marković, Z. (2024). Investigation of Antimicrobial and Anti-Inflammatory Efficacy of Newly Synthesized Pyrogallol-Coumarin Hybrids: In Vitro and In Silico Studies. Pharmaceutics, 16(11), 1472. doi:10.3390/pharmaceutics16111472
• Milanović, Ž., Jeremić, S., Antonijević, M., Dimić, D., Nakarada, Đ., Avdović, E., Marković, Z. (2024). The inhibitory potential of 4,7-dihydroxycoumarin derivatives on ROS-producing enzymes and direct HOO•/O2•− radical scavenging activity – a comprehensive kinetic DFT study. Free Radical Research, 58(8–9), 493–508. doi:10.1080/10715762.2024.2400674
• Jeremić, S., Avdović, E., Dolićanin, Z., Vojinović, R., Antonijević, M., Marković, Z. (2024). In silico study of novel coumarin derivatives as potential agents in the pancreatic cancer treatment. Computer Methods in Biomechanics and Biomedical Engineering, 1–15. doi:10.1080/10255842.2024.2431345
• Antonijević, M. R., Avdović, E. H., Simijonović, D., Milanović, Ž., Klisurić, O. R., Alberto, M. E., Russo, N., Vojinović, R., Marković, Z. S. (2024). Comprehensive Experimental and Computational Analysis of the Structural and HSA Binding Properties of Newly Synthesized Coumarin-Trimethoxybenzohydrazide Derivative. Polycyclic Aromatic Compounds, 1–25. doi:10.1080/10406638.2024.2339846

2023

• Avdović, E. H., Milanović, Ž., Simijonović, D., Antonijević, M., Milutinović, M., Nikodijević, D., Filipović, N., Marković, Z., Vojinović, R. (2023). An Effective, Green Synthesis Procedure for Obtaining Coumarin–Hydroxybenzohydrazide Derivatives and Assessment of Their Antioxidant Activity and Redox Status. Antioxidants, 12(12), 2070. doi:10.3390/antiox12122070
• Simijonović, D. M., Milenković, D. A., Avdović, E. H., Milanović, Ž. B., Antonijević, M. R., Amić, A. D., Dolićanin, Z., Marković, Z. S. (2023). Coumarin N-Acylhydrazone Derivatives: Green Synthesis and Antioxidant Potential — Experimental and Theoretical Study. Antioxidants, 12(10), 1858. doi:10.3390/antiox12101858
• Milanović, Ž., Dimić, D., Antonijević, M., Žižić, M., Milenković, D., Avdović, E., Marković, Z. (2023). Influence of acid-base equilibria on the rate of the chemical reaction in the advanced oxidation processes: Coumarin derivatives and hydroxyl radical. Chemical Engineering Journal, 453, 139648. doi:10.1016/j.cej.2022.139648
• Vasić, J., Dimić, D., Antonijević, M., Avdović, E. H., Milenković, D., Nakarada, Đ., Dimitrić Marković, J., Molnar, M., Lončarić, M., Bešlo, D., Marković, Z. (2023). The electronic effects of 3-methoxycarbonylcoumarin substituents on spectral, antioxidant, and protein binding properties. International Journal of Molecular Sciences, 24(14), 11820. doi:10.3390/ijms241411820

2022

• Antonijević, M. R., Avdović, E. H., Simijonović, D. M., Milanović, Ž. B., Amić, A. D., Marković, Z. S. (2022). Radical Scavenging Activity and Pharmacokinetic Properties of Coumarin–Hydroxybenzohydrazide Hybrids. International Journal of Molecular Sciences, 23(1), 490. doi:10.3390/ijms23010490
• Dekić, M., Radulović, N., Antonijević, M., Dekić, D., Ličina, B. (2022). The essential oil of the condiment species Clinopodium thymifolium (Scop.) Kuntze: new natural products and seasonal variation. Journal of the Science of Food and Agriculture, 102(6), 2437–2444. doi:10.1002/jsfa.11583
• Đorović Jovanović, J., Antonijević, M., Vojinović, R., Filipović, N. D., Marković, Z. (2022). In silico study of inhibitory capacity of sacubitril/valsartan toward neprilysin and angiotensin receptor. RSC Advances, 12(46), 29719–29726. doi:10.1039/D2RA04226F
• Avdović, E. H., Antonijević, M., Simijonović, D., Roca, S., Vikić Topić, D., Grozdanić, N., Stanojković, T., Radojević, I., Vojinović, R., Marković, Z. (2022). Synthesis and Cytotoxicity Evaluation of Novel Coumarin–Palladium(II) Complexes against Human Cancer Cell Lines. Pharmaceuticals, 16(1), 49. doi:10.3390/ph16010049

2021

• Milanović, Ž. B., Antonijević, M. R., Amić, A. D., Avdović, E. H., Dimić, D. S., Milenković, D. A., Marković, Z. S. (2021). Inhibitory activity of quercetin, its metabolite, and standard antiviral drugs towards enzymes essential for SARS-CoV-2: The role of acid–base equilibria. RSC Advances, 11(5), 2838–2847. doi:10.1039/D0RA09632F
• Antonijević, M. R., Simijonović, D. M., Avdović, E. H., Ćirić, A., Petrović, Z. D., Dimitrić Marković, J., Stepanić, V., Marković, Z. S. (2021). Green one-pot synthesis of coumarin-hydroxybenzohydrazide hybrids and their antioxidant potency. Antioxidants, 10(7), 1106. doi:10.3390/antiox10071106
• Amić, A., Dimitrić Marković, J. M., Marković, Z., Milenković, D., Milanović, Ž., Antonijević, M., Mastiľák Cagardová, D., Rodríguez-Guerra Pedregal, J. (2021). 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(8), 1303. doi:10.3390/antiox10081303
• Đorović Jovanović, J., Antonijević, M., El-Emam, A. A., Marković, Z. (2021). Comparative MD Study of Inhibitory Activity of Opaganib and Adamantane-Isothiourea Derivatives toward COVID-19 Main Protease Mpro. ChemistrySelect, 6(33), 8603–8610. doi:10.1002/slct.202101898
• Sovrlić, M., Jelić, R., Antonijević, M., Marković, Z., Tomović, J., Mrkalić, E. (2021). Influence of the Caffeine on the Interaction Between Haloperidol and Human Serum Albumin: Spectroscopic and Molecular Docking Approach. Studia Universitatis Babeș-Bolyai Chemia, 66(4). doi:10.24193/subbchem.2021.4.01

2020

• Milanović, Ž., Antonijević, M., Đorović, J., Milenković, D. (2020). Comparative Antiradical Activity and Molecular Docking Study of Bergaptol and Xanthotoxol. Journal of the Serbian Society for Computational Mechanics, Special issue, 71–84. doi:10.24874/jsscm.2020.01.07
• Milenković, D., Đorović, J., Avdović, E., Milanović, Ž., Antonijević, M. (2020). Thermodynamic and Kinetic Investigation of Antiradical Potential of Cyanidin. Journal of the Serbian Society for Computational Mechanics, Special issue, 85–95. doi:10.24874/jsscm.2020.01.08
• Đorović, J., Antonijević, M., Marković, Z. (2020). Antioxidative and inhibition potency of cynodontin. Journal of the Serbian Society for Computational Mechanics, Special issue, 59–70. doi:10.24874/jsscm.2020.01.06

2018

• Dekić, M., Radulović, N., Selimović, E., Dekić, D., Antonijević, M., Ličina, B. (2018). New natural products from Clinopodium thymifolium (Scop.) Kuntze (Lamiaceae). Facta Universitatis, Series: Physics, Chemistry and Technology, 16(1), 120.

Book chapter

• Antonijević, M. R., Milenković, D. A., Avdović, E. H., Marković, Z. S. (2023). Application of Artificial Intelligence for Predicting of New Potential Inhibitors of Vitamin K Epoxide Reductase. In Applied Artificial Intelligence 2: Medicine, Biology, Chemistry, Financial, Games, Engineering (pp. 170–184). Cham: Springer Nature Switzerland.