VU Gyvybės mokslų centro autoriaus 'Marius Gedgaudas' publikacijų sąrašas

2025
1 Vaškevičius, Aivaras; Trumpickaitė, Gabrielė; Parafjanovič, Edvin; Manakova, Elena; Mickevičiūtė, Aurelija; Gedgaudas, Marius; Kojis, Tautvydas; Paketurytė-Latvė, Vaida; Smirnov, Alexey; Baranauskienė, Lina; Gražulis, Saulius; Zubrienė, Asta; Dudutienė, Virginija; Matulis, Daumantas. Design of rigid compounds to enhance selectivity for carbonic anhydrase IX // Chemistry-A European journal. Weinheim : Wiley. ISSN 0947-6539. eISSN 1521-3765. 2025, vol. 31, iss. 18, art. no. e202404409, p. [1-18]. DOI: 10.1002/chem.202404409. [DB: Science Citation Index Expanded (Web of Science), Scopus]

2024
1 Petrauskas, Vytautas; Kazlauskas, Egidijus; Gedgaudas, Marius; Baranauskienė, Lina; Zubrienė, Asta; Matulis, Daumantas. Thermal shift assay for protein–ligand dissociation constant determination // TrAC Trends in Analytical Chemistry. Oxford : Elsevier B.V. ISSN 0165-9936. 2024, vol. 170, art. no. 117417, p. [1-7]. DOI: 10.1016/j.trac.2023.117417. [DB: Science Citation Index Expanded (Web of Science), ScienceDirect] [IF: 12.000; AIF: 4.200; Q1 (2024 InCities JCR SCIE)]
2 Gedgaudas, Marius; Kaziukonytė, Paulina; Kairys, Visvaldas; Mickevičiūtė, Aurelija; Zubrienė, Asta; Brukštus, Algirdas; Matulis, Daumantas; Kazlauskas, Egidijus. Comprehensive analysis of resorcinyl-imidazole Hsp90 inhibitor design // European journal of medicinal chemistry. Issy-les-Moulineaux : Elsevier Masson s.r.l. ISSN 0223-5234. eISSN 1768-3254. 2024, vol. 273, art. no. 116505, p. [1-16]. DOI: 10.1016/j.ejmech.2024.116505. [DB: Science Citation Index Expanded (Web of Science), Scopus] [IF: 5.900; AIF: 4.500; Q1 (2024 InCities JCR SCIE)]
3 Dernovšek, Jaka; Zajec, Živa; Poje, Goran; Urbančič, Dunja; Sturtzel, Caterina; Goričan, Tjaša; Grissenberger, Sarah; Ciura, Krzesimir; Woziński, Mateusz; Gedgaudas, Marius; Zubrienė, Asta; Grdadolnik, Simona Golič; Mlinarič-Raščan, Irena; Rajić, Zrinka; Cotman, Andrej Emanuel; Zidar, Nace; Distel, Martin; Tomašič, Tihomir. Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency // Biomedicine and pharmacotherapy : Elsevier Masson s.r.l. ISSN 0753-3322. eISSN 1950-6007. 2024, vol. 177, art. no. 116941, p. [1-29]. DOI: 10.1016/j.biopha.2024.116941. [DB: Science Citation Index Expanded (Web of Science), Scopus] [IF: 7.500; AIF: 4.400; Q1 (2024 InCities JCR SCIE)]
4 Zajec, Živa; Dernovšek, Jaka; Cingl, Jernej; Ogris, Iza; Gedgaudas, Marius; Zubrienė, Asta; Mitrović, Ana; Golič Grdadolnik, Simona; Gobec, Martina; Tomašič, Tihomir. New class of Hsp90 C-terminal domain inhibitors with anti-tumor properties against triple-negative breast cancer // Journal of medicinal chemistry. Washington : American Chemical Society. ISSN 0022-2623. eISSN 1520-4804. 2024, vol. 67, iss. 15, p. 12984-13018. DOI: 10.1021/acs.jmedchem.4c00932. [DB: Science Citation Index Expanded (Web of Science), Scopus] [IF: 6.800; AIF: 4.500; Q1 (2024 InCities JCR SCIE)]
5 Dernovšek, Jaka; Goričan, Tjaša; Gedgaudas, Marius; Zajec, Živa; Urbančič, Dunja; Jug, Ana; Skok, Žiga; Sturtzel, Caterina; Distel, Martin; Grdadolnik, Simona Golič; Babu, Kesavan; Panchamatia, Ashna; Stachowski, Timothy R; Fischer, Marcus; Ilaš, Janez; Zubrienė, Asta; Matulis, Daumantas; Zidar, Nace; Tomašič, Tihomir. Hiding in plain sight: Optimizing topoisomerase IIα inhibitors into Hsp90β selective binders // European journal of medicinal chemistry. Issy-les-Moulineaux : Elsevier. eISSN 1768-3254. 2024, vol. 280, art. no. 116934, p. [1-37]. DOI: 10.1016/j.ejmech.2024.116934. [DB: Science Citation Index Expanded (Web of Science), Scopus]
6 Dernovšek, Jaka; Urbančič, Dunja; Zajec, Živa; Sturtzel, Caterina; Grissenberger, Sarah; Wenninger-Weinzierl, Andrea; Gedgaudas, Marius; Zubrienė, Asta; Goričan, Tjaša; Golič Grdadolnik, Simona; Skok, Žiga; Ilaš, Janez; Distel, Martin; Zidar, Nace; Tomašič, Tihomir. First dual inhibitors of human topoisomerase IIα and Hsp90 C-terminal domain inhibit the growth of Ewing sarcoma in vitro and in vivo // Bioorganic chemistry. San Diego : Elsevier. eISSN 1090-2120. 2024, vol. 153, art. no. 107850, p. [1-20]. DOI: 10.1016/j.bioorg.2024.107850. [DB: Science Citation Index Expanded (Web of Science), Scopus]
7 Vaškevičius, Aivaras; Baronas, Denis; Leitans, Janis; Kvietkauskaitė, Agnė; Rukšėnaitė, Audronė; Manakova, Elena; Toleikis, Zigmantas; Kaupinis, Algirdas; Kazaks, Andris; Gedgaudas, Marius; Mickevičiūtė, Aurelija; Juozapaitienė, Vaida; Schiöth, Helgi B.; Jaudzems, Kristaps; Valius, Mindaugas; Tars, Kaspars; Gražulis, Saulius; Meyer-Almes, Franz-Josef; Matulienė, Jurgita; Zubrienė, Asta; Dudutienė, Virginija; Matulis, Daumantas. Targeted anticancer pre-vinylsulfone covalent inhibitors of carbonic anhydrase IX // eLife. Cambridge : eLife Sciences Publications Ltd. eISSN 2050-084X. 2024, vol. 13, p. [1-36]. DOI: 10.7554/eLife.101401. [DB: Emerging Sources Citation Index (Web of Science), Scopus]

2023
1 Bagdonas, Martynas; Čerepenkaitė, Kamilė; Mickevičiūtė, Aurelija; Kananavičiūtė, Rūta; Grybaitė, Birutė; Anusevičius, Kazimieras; Rukšėnaitė, Audronė; Kojis, Tautvydas; Gedgaudas, Marius; Mickevičius, Vytautas; Matulis, Daumantas; Zubrienė, Asta; Matulienė, Jurgita. Screening, synthesis and biochemical characterization of SARS-CoV-2 protease inhibitors // International journal of molecular sciences. Basel : MDPI. ISSN 1422-0067. 2023, vol. 24, iss. 17, art. no. 13491, p. 1-15. DOI: 10.3390/ijms241713491. [DB: Science Citation Index Expanded (Web of Science), Scopus, MEDLINE] [IF: 4.900; AIF: 5.650; Q1 (2023 InCities JCR SCIE)]
2 Lingė, Darius; Gedgaudas, Marius; Merkys, Andrius; Petrauskas, Vytautas; Vaitkus, Antanas; Grybauskas, Algirdas; Paketurytė-Latvė, Vaida; Zubrienė, Asta; Zakšauskas, Audrius; Mickevičiūtė, Aurelija; Smirnovienė, Joana; Baranauskienė, Lina; Čapkauskaitė, Edita; Dudutienė, Virginija; Urniežius, Ernestas; Konovalovas, Aleksandras; Kazlauskas, Egidijus; Shubin, Kirill; Schiöth, Helgi B; Chen, Wen-Yih; Ladbury, John E; Gražulis, Saulius; Matulis, Daumantas. PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parameters // Database : the journal of biological databases and curation. Oxford : Oxford university press. eISSN 1758-0463. 2023, vol. 2023, art. no. baad040, p. [1-8]. DOI: 10.1093/database/baad040. [DB: Science Citation Index Expanded (Web of Science)]

2022
1 Gedgaudas, Marius; Baronas, Denis; Kazlauskas, Egidijus; Petrauskas, Vytautas; Matulis, Daumantas. Thermott: a comprehensive online tool for protein-ligand binding constant determination // Drug discovery today. Oxford : Elsevier. ISSN 1359-6446. eISSN 1878-5832. 2022, vol. 27, iss. 8, p. 2076-2079. DOI: 10.1016/j.drudis.2022.05.008. [DB: Science Citation Index Expanded (Web of Science), Scopus, Embase, MEDLINE] [IF: 7.400; AIF: 4.500; Q1 (2022 InCities JCR SCIE)]
2 Kaziukonytė, Paulina; Venskūnaitė, Kamilė; Venslauskas, Tomas; Kazlauskas, Egidijus; Gedgaudas, Marius; Žutautė, Ieva; Brukštus, Algirdas. Synthesis and evaluation of Hsp90 inhibition of 1,5-disubstituted imidazoles // 19 Blue Danube symposium on heterocyclic chemistry, August 22-24, 2022, Bratislava, Slovakia : book abstracts. Bratislava, 2022. ISBN 9788082080844. p. 51.

2018
1 Čapkauskaitė, Edita; Zakšauskas, Audrius; Ruibys, Virginijus; Linkuvienė, Vaida; Paketurytė, Vaida; Gedgaudas, Marius; Kairys, Visvaldas; Matulis, Daumantas. Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors // Bioorganic & medicinal chemistry. Oxford : Pergamon-Elsevier Science Ltd. ISSN 0968-0896. eISSN 1464-3391. 2018, vol. 26, iss. 3, p. 675-687. DOI: 10.1016/j.bmc.2017.12.035. [DB: PubMed, Scopus, Science Citation Index Expanded (Web of Science)] [IF: 2.802; AIF: 3.585; Q2 (2018 InCities JCR SCIE)]