Search Results - "GRDADOLNIK, Simona Golic"

Polymorphisms of CYP51A1 from cholesterol synthesis: associations with birth weight and maternal lipid levels and impact on CYP51 protein structure by Lewińska, Monika, Zelenko, Urska, Merzel, Franci, Golic Grdadolnik, Simona, Murray, Jeffrey C, Rozman, Damjana

“…We investigated the housekeeping cytochrome P450 CYP51A1 encoding lanosterol 14α-demethylase from cholesterol synthesis that was so far not directly linked to…”
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Evaluation of Selected CYP51A1 Polymorphisms in View of Interactions with Substrate and Redox Partner by Režen, Tadeja, Ogris, Iza, Sever, Marko, Merzel, Franci, Golic Grdadolnik, Simona, Rozman, Damjana

“…Cholesterol is essential for development, growth, and maintenance of organisms. Mutations in cholesterol biosynthetic genes are embryonic lethal and few…”
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NMR and Molecular Dynamics Study of the Binding Mode of Naphthalene-N-sulfonyl-d-glutamic Acid Derivatives: Novel MurD Ligase Inhibitors by Simčič, Mihael, Hodošček, Milan, Humljan, Jan, Kristan, Katja, Urleb, Uroš, Kocjan, Darko, Grdadolnik, Simona Golič

“…The presented series of naphthalene-N-sulfonyl-d-glutamic acid derivatives are novel MurD ligase inhibitors with moderate affinity that occupy the d-Glu…”
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An efficient synthetic method and theoretical calculations of olmesartan methyl ether: study of biological function of AT1 antagonism by Ntountaniotis, Dimitrios, Agelis, George, Resvani, Amalia, Halabalaki, Maria, Liapakis, George, Spyridaki, Katerina, Grdadolnik, Simona Golic, Merzel, Franci, Kostidis, Sarantos, Potamitis, Constantinos, Tselios, Theodore, Matsoukas, John, Skaltsounis, Leandros Alexios, Mavromoustakos, Thomas

“…The dissolution of the antihypertensive AT1 antagonist olmesartan in methanol generates in situ a new highly bioactive methyl ether analogue via SN1 mechanism…”
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Distinct conformational changes occur within the intrinsically unstructured pro‐domain of pro‐Nerve Growth Factor in the presence of ATP and Mg2 by Paoletti, Francesca, Covaceuszach, Sonia, Cassetta, Alberto, Calabrese, Antonio N., Novak, Urban, Konarev, Petr, Grdadolnik, Jože, Lamba, Doriano, Golič Grdadolnik, Simona

“…Nerve growth factor (NGF), the prototypical neurotrophic factor, is involved in the maintenance and growth of specific neuronal populations, whereas its…”
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New Class of Hsp90 C‑Terminal Domain Inhibitors with Anti-tumor Properties against Triple-Negative Breast Cancer by Zajec, Živa, Dernovšek, Jaka, Cingl, Jernej, Ogris, Iza, Gedgaudas, Marius, Zubrienė, Asta, Mitrović, Ana, Golič Grdadolnik, Simona, Gobec, Martina, Tomašič, Tihomir

“…Triple-negative breast cancer (TNBC) remains a treatment challenge and requires innovative therapies. Hsp90, crucial for the stability of numerous oncogenic…”
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Determination of Conformational Preferences of Dipeptides Using Vibrational Spectroscopy by Grdadolnik, Jože, Golič Grdadolnik, Simona, Avbelj, Franc

“…The NMR coupling constants (3 J(HN, Hα)) of dipeptides indicate that the backbone conformational preferences vary strikingly among dipeptides. These…”
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Assessment of Tractable Cysteines for Covalent Targeting by Screening Covalent Fragments by Petri, László, Ábrányi‐Balogh, Péter, Tímea, Imre, Pálfy, Gyula, Perczel, András, Knez, Damijan, Hrast, Martina, Gobec, Martina, Sosič, Izidor, Nyíri, Kinga, Vértessy, Beáta G., Jänsch, Niklas, Desczyk, Charlotte, Meyer‐Almes, Franz‐Josef, Ogris, Iza, Golič Grdadolnik, Simona, Iacovino, Luca Giacinto, Binda, Claudia, Gobec, Stanislav, Keserű, György M.

“…Targeted covalent inhibition and the use of irreversible chemical probes are important strategies in chemical biology and drug discovery. To date, the…”
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Characterization of Asparagine Deamidation in Immunodominant Myelin Oligodendrocyte Glycoprotein Peptide Potential Immunotherapy for the Treatment of Multiple Sclerosis by Androutsou, Maria-Eleni, Nteli, Agathi, Gkika, Areti, Avloniti, Maria, Dagkonaki, Anastasia, Probert, Lesley, Tselios, Theodore, Golič Grdadolnik, Simona

“…Mannan (polysaccharide) conjugated with a myelin oligodendrocyte glycoprotein (MOG) peptide, namely (KG) MOG , represents a potent and promising new approach…”
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Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα: Dynophore-derived discovery by Herlah, Barbara, Janežič, Matej, Ogris, Iza, Grdadolnik, Simona Golič, Kološa, Katja, Žabkar, Sonja, Žegura, Bojana, Perdih, Andrej

“…The molecular nanomachine, human DNA topoisomerase IIα, plays a crucial role in replication, transcription, and recombination by catalyzing topological changes…”
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Apigenin-7-O-glucoside versus apigenin: Insight into the modes of anticandidal and cytotoxic actions by Smiljkovic, Marija, Stanisavljevic, Danijela, Stojkovic, Dejan, Petrovic, Isidora, Marjanovic Vicentic, Jelena, Popovic, Jelena, Golic Grdadolnik, Simona, Markovic, Dejan, Sankovic-Babice, Snežana, Glamoclija, Jasmina, Stevanovic, Milena, Sokovic, Marina

“…Bioactive potential of apigenin derivative apigenin-7- -glucoside related to its antifungal activity on spp. and cytotoxic effect on colon cancer cells was…”
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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα by Janežič, Matej, Valjavec, Katja, Loboda, Kaja Bergant, Herlah, Barbara, Ogris, Iza, Kozorog, Mirijam, Podobnik, Marjetka, Grdadolnik, Simona Golič, Wolber, Gerhard, Perdih, Andrej

“…In this study, we utilized human DNA topoisomerase IIα as a model target to outline a dynophore-based approach to catalytic inhibitor design. Based on MD…”
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Unveiling the interaction profile of rosmarinic acid and its bioactive substructures with serum albumin by Papaemmanouil, Christina, Chatziathanasiadou, Maria V., Chatzigiannis, Christos, Chontzopoulou, Eleni, Mavromoustakos, Thomas, Grdadolnik, Simona Golic, Tzakos, Andreas G.

“…Rosmarinic acid, a phytochemical compound, bears diverse pharmaceutical profile. It is composed by two building blocks: caffeic acid and a salvianic acid unit…”
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Exploration and optimisation of structure-activity relationships of new triazole-based C-terminal Hsp90 inhibitors towards in vivo anticancer potency by 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

“…The development of new anticancer agents is one of the most urgent topics in drug discovery. Inhibition of molecular chaperone Hsp90 stands out as an approach…”
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Revealing the astragalin mode of anticandidal action by Ivanov, Marija, Kannan, Abhilash, Stojkovic, Dejan, Glamoclija, Jasmina, Golic Grdadolnik, Simona, Sanglard, Dominique, Sokovic, Marina

“…Due to limited arsenal of systemically available antifungal agents, infections caused by are difficult to treat and the emergence of drug-resistant strains…”
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Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamics by Kordopati, Golfo G., Tzoupis, Haralambos, Troganis, Anastassios N., Tsivgoulis, Gerasimos M., Golic Grdadolnik, Simona, Simal, Carmen, Tselios, Theodore V.

“…Proteolipid protein (PLP) is one of the main proteins of myelin sheath that are destroyed during the progress of multiple sclerosis (MS). The immunodominant…”
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The use of J-coupling as a sole criterion to assign the total absolute stereochemistry of new pyrrolidinone class synthetic analogs, derived from S-pyroglutamic acid by Kellici, Tahsin F., Ntountaniotis, Dimitrios, Vanioti, Marianna, Golic Grdadolnik, Simona, Simcic, Mihael, Michas, Georgios, Moutevelis-Minakakis, Panagiota, Mavromoustakos, Thomas

“…During the synthesis of new pyrrolidinone analogs possessing biological activity it is intriguing to assign their absolute stereochemistry as it is well known…”
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Intrinsic Backbone Preferences Are Fully Present in Blocked Amino Acids by Avbelj, Franc, Grdadolnik, Simona Golic, Grdadolnik, Joze, Baldwin, Robert L.

“…The preferences of amino acid residues for Φ,ψ backbone angles vary strikingly among the amino acids, as shown by the backbone angle Φ found from…”
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NMR in the design of antibacterials by Arsovska, Emilija, Mali, Gregor, Golič Grdadolnik, Simona, Zega, Anamarija

“…One of the most challenging areas in drug design is the area of new antibacterial drugs. Despite significant progress in target validation and screening…”
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Structural Insight into the Unique Binding Properties of Pyridylethanol(phenylethyl)amine Inhibitor in Human CYP51 by Zelenko, Urška, Hodošček, Milan, Rozman, Damjana, Golič Grdadolnik, Simona

“…Sterol 14α-demethylase (CYP51) is the main drug target for the treatment of fungal infections. The discovery of new efficient fungal CYP51 inhibitors requires…”
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