Primaquine hybrids as promising antimycobacterial and antimalarial agents K Pavić, I Perković, Š Pospíšilová, M Machado, D Fontinha, M Prudêncio, ... European journal of medicinal chemistry 143, 769-779, 2018 | 44 | 2018 |
Warfarin and flavonoids do not share the same binding region in binding to the IIA subdomain of human serum albumin H Rimac, C Dufour, Ž Debeljak, B Zorc, M Bojić Molecules 22 (7), 1153, 2017 | 42 | 2017 |
Displacement of drugs from human serum albumin: from molecular interactions to clinical significance H Rimac, Ž Debeljak, L Miller Current medicinal chemistry 24 (18), 1930-1947, 2017 | 42 | 2017 |
The effect of flavonoid aglycones on the CYP1A2, CYP2A6, CYP2C8 and CYP2D6 enzymes activity M Bojić, M Kondža, H Rimac, G Benković, Ž Maleš Molecules 24 (17), 3174, 2019 | 33 | 2019 |
Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking J Novak, H Rimac, S Kandagalla, P Pathak, V Naumovich, M Grishina, ... Journal of Biomolecular Structure and Dynamics 40 (19), 9347-9360, 2022 | 25 | 2022 |
Investigation of the newly characterized baimantuoluoamide a and baimantuoluoamide b alkaloids as potential cyclin-dependent kinase 4 (CDK4) inhibitors using molecular docking … K Gurushankar, H Rimac, V Potemkin, M Grishina Journal of Molecular Structure 1230, 129925, 2021 | 25 | 2021 |
Electron density analysis of CDK complexes using the AlteQ method H Rimac, MA Grishina, VA Potemkin Future Medicinal Chemistry 12 (15), 1387-1397, 2020 | 24 | 2020 |
COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes L Hok, H Rimac, J Mavri, R Vianello Computational and structural biotechnology journal 20, 1254-1263, 2022 | 23* | 2022 |
Use of the complementarity principle in docking procedures: A new approach for evaluating the correctness of binding poses H Rimac, M Grishina, V Potemkin Journal of chemical information and modeling 61 (4), 1801-1813, 2021 | 23 | 2021 |
Complementarity principle in terms of electron density for the study of EGFR complexes S Kandagalla, H Rimac, VA Potemkin, MA Grishina Future Medicinal Chemistry 13 (10), 863-875, 2021 | 19 | 2021 |
Structural and electronic determinants of flavonoid binding to human serum albumin: An extensive ligand-based study H Rimac, Ž Debeljak, D Šakić, T Weitner, M Gabričević, V Vrček, B Zorc, ... RSC advances 6 (79), 75014-75022, 2016 | 19 | 2016 |
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database J Novak, H Rimac, S Kandagalla, MA Grishina, VA Potemkin Future Medicinal Chemistry 13 (4), 363-378, 2021 | 17 | 2021 |
Hybrid quinazoline 1, 3, 5‐triazines as epidermal growth factor receptor (EGFR) inhibitors with anticancer activity: design, synthesis, and computational study P Pathak, H Rimac, M Grishina, A Verma, V Potemkin ChemMedChem 16 (5), 822-838, 2021 | 14 | 2021 |
Attenuation of hepatic and breast cancer cells by Polygonatum verticillatum embedded silver nanoparticles M Pathak, P Pathak, H Rimac, M Grishina, U Bagale, V Kumar, R Majee, ... Biocatalysis and agricultural biotechnology 30, 101863, 2020 | 13 | 2020 |
Pathway enrichment analysis of virus-host interactome and prioritization of novel compounds targeting the spike glycoprotein receptor binding domain–human angiotensin … P Gollapalli, S B. S, H Rimac, P Patil, SK Nalilu, S Kandagalla, P Shetty Journal of Biomolecular Structure and Dynamics 40 (6), 2701-2714, 2022 | 12 | 2022 |
A triterpene glochidon from Phyllanthus debilis: Isolation, computational studies, and antidiabetic activity evaluation A Verma, P Pathak, H Rimac, H Khalilullah, V Kumar, M Grishina, ... Biocatalysis and agricultural biotechnology 36, 102138, 2021 | 12 | 2021 |
Influence of flavonoids’ lipophilicity on platelet aggregation I Babić, M Bojić, Ž Maleš, R Zadro, K Gojčeta, I Duka, H Rimac, I Jukić Acta Pharmaceutica 69 (4), 607-619, 2019 | 10 | 2019 |
Characterization of O-demethylations and aromatic hydroxylations mediated by cytochromes P450 in the metabolism of flavonoid aglycons G Benković, H Rimac, Ž Maleš, S Tomić, Z Lončar, M Bojić Croatica Chemica Acta 92 (1), 115-123, 2019 | 9 | 2019 |
Indomethacin increases quercetin affinity for human serum albumin: a combined experimental and computational study and its broader implications H Rimac, T Tandarić, R Vianello, M Bojić International journal of molecular sciences 21 (16), 5740, 2020 | 7 | 2020 |
Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches S Kandagalla, H Rimac, K Gurushankar, J Novak, M Grishina, V Potemkin PeerJ 10, e13374, 2022 | 6 | 2022 |