41. Identification of triazolopyrimidinyl scaffold SARS-CoV-2 papain-like protease (PLpro) inhibitorSebastjan Kralj, Marko Jukič, Miha Bahun, Luka Kranjc, Anja Kolarič, Milan Hodošček, Nataša Poklar Ulrih, Urban Bren, 2024, original scientific article Abstract: The global impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its companion disease, COVID-19, has reminded us of the importance of basic coronaviral research. In this study, a comprehensive approach using molecular docking, in vitro assays, and molecular dynamics simulations was applied to identify potential inhibitors for SARS-CoV-2 papain-like protease (PLpro), a key and underexplored viral enzyme target. A focused protease inhibitor library was initially created and molecular docking was performed using CmDock software (v0.2.0), resulting in the selection of hit compounds for in vitro testing on the isolated enzyme. Among them, compound 372 exhibited promising inhibitory properties against PLpro, with an IC50 value of 82 ± 34 μM. The compound also displayed a new triazolopyrimidinyl scaffold not yet represented within protease inhibitors. Molecular dynamics simulations demonstrated the favorable binding properties of compound 372. Structural analysis highlighted its key interactions with PLpro, and we stress its potential for further optimization. Moreover, besides compound 372 as a candidate for PLpro inhibitor development, this study elaborates on the PLpro binding site dynamics and provides a valuable contribution for further efforts in pan-coronaviral PLpro inhibitor development.
Keywords: drug design, protease inhibitor, SARS-CoV-2, papain-like protease, PLpro, antiviral design, in silico drug design, CADD, virtual screening, HTVS, structure-based design Published in DiRROS: 07.08.2024; Views: 143; Downloads: 142
Full text (6,86 MB) This document has many files! More... |
42. On the occurrence of early life stage of the king of herrings, Regalectus glesne (Actinopterygii: Lampriformes: Regalectidae), in the Adriatic SeaBranko Dragičević, Armin Pallaoro, Robert Grgičević, Lovrenc Lipej, Jakov Dulčić, 2011, other scientific articles Abstract: The occurrence of an early life stage of the king of herrings, Regalecus glesne Ascanius, 1772, is reported for the first time from the Adriatic waters. A single larva (SL = 103.4 mm) was found alive in the waters of open Adriatic near a remote Island PalagruĹľa. Findings of early life stages of this species are very rare in the Mediterranean and have previously been reported only from the waters of the Strait of Sicily and Elba Island.
Keywords: fishes, ichthyology, Adriatic sea, Regalectidae, Regalectus glesne, oar fish, Adriatic Sea, larva, diversity, early life stage, record, king of herrings, Central Adriatic Published in DiRROS: 07.08.2024; Views: 128; Downloads: 152
Full text (1,87 MB) This document has many files! More... |
43. First substantiated record of a lessepsian migrant - the dusky spinefood, Siganus luridus (Actinopterzgii: Perciformes: Siganidae), in the Adriatic SeaJakov Dulčić, Branko Dragičević, Robert Grgičević, Lovrenc Lipej, 2011, other scientific articles Abstract: One specimen of the dusky spinefoot, Siganus luridus (Rüppell, 1829) (+, total length = 17.3 cm, total weight = 87.61 g), a lessepsian migrant, was captured in the Mljet Channel (Southern Adriatic, Croatian coast) on 15 November 2010. This is the second record of this species from the Adriatic, but first well documented and based on the captured specimen. First record occurred earlier in the Northern Adriatic, but was based solely on underwater observations.
Keywords: fishes, ichthyology, Adriatic sea, Siganidae, lessepsian migrants, diversity, origins, Mediterranean, new record, Adriatic Sea Published in DiRROS: 07.08.2024; Views: 139; Downloads: 78
Full text (1017,40 KB) This document has many files! More... |
44. On the record of the moray eel (Muraena helena Linnaeus, 1758) in Slovenian coastal waters (Gulf of Trieste, northern Adriatic)Lovrenc Lipej, Sašo Moškon, 2011, other scientific articles Abstract: The authors report on the record of the moray eel (Muraena helena) in Slovenian coastal waters (Gulf of Trieste, northern Adriatic). The specimen was caught by a diver with a speargun in June 2011. The moray eel measured 1,127 mm in total length and weighed 4,120 g. The estimated age of the moray eel was about 12 years. This is the first recorded case of the occurrence of moray eel in Slovenian waters. Keywords: moray eel, Murenae helena, zoogeography, Gulf of Trieste Published in DiRROS: 07.08.2024; Views: 121; Downloads: 61
Full text (180,16 KB) This document has many files! More... |
45. Occurence of Egyptian Goose Alopochen aegyptiacus in SloveniaDejan Bordjan, Erik Šinigoj, 2011, other scientific articles Abstract: The article presents all known observations of the introduced Egyptian Goose Alopochen aegyptiacus made in Slovenia till the end of 2011. In Feb 2005, and eventually on 2 and 8 Mar 2008, a single individual was observed at Renče Clay Pits in the Vipava Valley while on 28 Oct 2010 two individuals were recorded only 2 km away at the confluence of the Lijak Stream and Vipava River (UTM UL98, SW Slovenia). The authors of the article presume that these individuals were escapees from the nearby pond situated along the Keramix factory at Volčja draga, where Egyptian Geese have been bred for a number of years as ornamental animals. On 8 Aug 2011, one individual was recorded on the bank of Ljubljanica River at Moste, Ljubljana (UTM VM60, Central Slovenia); in this case, too, an individual from captivity (E category) was presumably observed, judging by its unsuspicious behaviour. Apart from these records, a single individual was registered on 29 Mar 2008 at Rački Ponds (UTM WM54, NE Slovenia). Considering the circumstances of the above observations, as well as increase and expansion of the naturalised population north of the Alps, the authors infer that this individual belonged to the above mentioned population and that it should thus be most appropriately included, in the list of birds registered in Slovenia, in the category of species occurring as vagrants from naturalized populations abroad (C5). Keywords: gosi, Alopochen aegyptiacus, zoologija, Slovenija, zoogeografija Published in DiRROS: 07.08.2024; Views: 134; Downloads: 71
Full text (125,69 KB) This document has many files! More... |
46. New recordings of opisthobranch mollusks (Mollusca: Opisthobranchia) in the Slovenian portion of the Adriatic SeaLovrenc Lipej, Borut Mavrič, Sašo Moškon, 2012, other scientific articles Abstract: Four opisthobranch species have been recorded in Slovenian coastal waters for the very first time: Tylodina perversa, Janolus cristatus, Eubranchus tricolor and Dicata odhneri. The first three were to some extent expected. D. odhneri was found on two occasions, representing new data on this rather rare and less known nudibranch species. The total number of recorded opisthobranch gastropod species is now 70. Keywords: biologija, zoologija, taksonomija, Janolus cristatus, Eubranchus tricolor, Tylodina perversa, Dicata odhneri, first record, Nudibranchia, Jadransko morje, Gulf of Trieste Published in DiRROS: 07.08.2024; Views: 136; Downloads: 159
Full text (2,10 MB) This document has many files! More... |
47. Cancer chemopreventionAmr Amin, Metka Filipič, Su S. Chen, Regine Schneider-Stock, 2012, other scientific articles Abstract: Cancers are characterized by the dysregulation of cell signaling pathways at multiple steps. Most current anticancer therapies however involve the modulation of a single target. The lack of safety and high cost of monotargeted therapies have encouraged alternative approaches. Both natural compounds, extracted from plants or animals, and synthetic compounds, derived from natural prototype structures, are now being used as cancer therapeutics and as chemopreventive compounds. Published in DiRROS: 07.08.2024; Views: 127; Downloads: 101
Full text (45,58 KB) This document has many files! More... |
48. The ocean sampling day consortiumAnna Kopf, Valentina Turk, Tinkara Tinta, 2015, other scientific articles Abstract: Ocean Sampling Day was initiated by the EU-funded Micro B3 (Marine Microbial Biodiversity, Bioinformatics, Biotechnology) project to obtain a snapshot of the marine microbial biodiversity and function of the world’s oceans. It is a simultaneous global mega-sequencing campaign aiming to generate the largest standardized microbial data set in a single day. This will be achievable only through the coordinated efforts of an Ocean Sampling Day Consortium, supportive partnerships and networks between sites. This commentary outlines the establishment, function and aims of the Consortium and describes our vision for a sustainable study of marine microbial communities and their embedded functional traits.
Published in DiRROS: 07.08.2024; Views: 125; Downloads: 129
Full text (430,12 KB) This document has many files! More... |
49. Draft genome sequences of Dickeya sp. isolates B16 (NIB Z 2098) and S1 (NIB Z 2099) causing soft rot of Phalaenopsis orchidsŠpela Alič, Tina Mikuletič, Pablo Llop, Nataša Toplak, Simon Koren, Maja Ravnikar, Tanja Dreo, 2015, other scientific articles Abstract: The genus Dickeya contains bacteria causing soft rot of economically important crops and ornamental plants. Here, we report the draft genome sequences of two Dickeya sp. isolates from rotted leaves of Phalaenopsis orchids.
Keywords: bacteria, plant diseases Published in DiRROS: 07.08.2024; Views: 144; Downloads: 75
Full text (161,12 KB) This document has many files! More... |
50. Range expansion of alien nudibranch Melibe viridis (Kelaart, 1858) in the northern Adriatic SeaLovrenc Lipej, Borut Mavrič, 2017, other scientific articles Abstract: The alien nudibranch Melibe viridis (Kelaart, 1858) was recorded in the waters of Slovenia (Gulf of Trieste, northern Adriatic Sea). A specimen was photographed and fi lmed on rocky hard bottom of the Natural Monument Cape Madona in October 2016. This is the fi rst record of this large sized nudibranch for Slovenia and for the Gulf of Trieste, as well, and a new one among otherwise rare records on this species in the Adriatic Sea. Keywords: Slovenia, non indigenous species, Adriatic Sea Published in DiRROS: 07.08.2024; Views: 143; Downloads: 155
Full text (1,60 MB) This document has many files! More... |