Publications by authors named "Andrej Perdih"

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Topoisomerases as Targets for Novel Drug Discovery.
Andrej Perdih

Pharmaceuticals (Basel)· November 2025

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Asymmetric T-segment binding and gate dynamics govern the final stages of the type IIA topoisomerase catalytic cycle.
Kristina Stevanović, Barbara Herlah, Matic Pavlin, Andrej Perdih

Int J Biol Macromol· October 2025

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Water-Based Pharmacophore Modeling in Kinase Inhibitor Design: A Case Study on Fyn and Lyn Protein Kinases.
Martin Ljubič, Marija Sollner Dolenc, Jure Borišek, Andrej Perdih

J Chem Inf Model· September 2025

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Pleiotropic prodrugs for both symptomatic and disease-modifying treatment of Alzheimer's disease.
Anže Meden, Neža Žnidaršič, Damijan Knez, Yuanyuan Wang, Ziwei Xu, Andrej Perdih

Acta Pharm Sin B· September 2025

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Influenza a Virus Inhibition: Evaluating Computationally Identified Cyproheptadine Through In Vitro Assessment.
Sanja Glisic, Kristina Stevanovic, Andrej Perdih, Natalya Bukreyeva, Junki Maruyama

Int J Mol Sci· June 2025

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Simulation- and AI-directed optimization of 4,6-substituted 1,3,5-triazin-2(1)-ones as inhibitors of human DNA topoisomerase IIα.
Barbara Herlah, Tjaša Goričan, Nika Strašek Benedik, Simona Golič Grdadolnik, Izidor Sosič, Andrej Perdih

Comput Struct Biotechnol J· December 2024

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All-Atom Simulations Reveal the Effect of Membrane Composition on the Signaling of the NKG2A/CD94/HLA-E Immune Receptor Complex.
Martin Ljubič, Andrej Perdih, Jure Borišek

J Chem Inf Model· December 2024

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Molecular choreography: Unveiling the dynamic landscape of type IIA DNA topoisomerases before T-segment passage through all-atom simulations.
Barbara Herlah, Matic Pavlin, Andrej Perdih

Int J Biol Macromol· June 2024

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Nature-inspired substituted 3-(imidazol-2-yl) morpholines targeting human topoisomerase IIα: Dynophore-derived discovery.
Barbara Herlah, Matej Janežič, Iza Ogris, Simona Golič Grdadolnik, Katja Kološa, Andrej Perdih

Biomed Pharmacother· June 2024

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Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1α Stabilizers.
Lan Phuong Vu, Claudia J Diehl, Ryan Casement, Adam G Bond, Christian Steinebach, Andrej Perdih

J Med Chem· September 2023

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Unveiling the interdomain dynamics of type II DNA topoisomerase through all-atom simulations: Implications for understanding its catalytic cycle.
Matic Pavlin, Barbara Herlah, Katja Valjavec, Andrej Perdih

Comput Struct Biotechnol J· July 2023

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All-Atom Simulations Reveal the Intricacies of Signal Transduction upon Binding of the HLA-E Ligand to the Transmembrane Inhibitory CD94/NKG2A Receptor.
Martin Ljubič, Eva Prašnikar, Andrej Perdih, Jure Borišek

J Chem Inf Model· June 2023

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Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Anže Meden, Damijan Knez, Xavier Brazzolotto, Fabrice Modeste, Andrej Perdih

Eur J Med Chem· February 2023

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Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα.
Ilija N Cvijetić, Barbara Herlah, Aleksandar Marinković, Andrej Perdih, Snežana K Bjelogrlić

Pharmaceuticals (Basel)· February 2023

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Computational Insights into β-Carboline Inhibition of Monoamine Oxidase A.
Alja Prah, Tanja Gavranić, Andrej Perdih, Marija Sollner Dolenc, Janez Mavri

Molecules· October 2022

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Catalytic Mechanism of ATP Hydrolysis in the ATPase Domain of Human DNA Topoisomerase IIα.
Mitja Ogrizek, Matej Janežič, Katja Valjavec, Andrej Perdih

J Chem Inf Model· August 2022

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What a Difference an Amino Acid Makes: An All-Atom Simulation Study of Nonameric Peptides in Inhibitory HLA-E/NKG2A/CD94 Immune Complexes.
Eva Prašnikar, Andrej Perdih, Jure Borišek

Front Pharmacol· August 2022

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Design, Synthesis and Evaluation of Fused Bicyclo[2.2.2]octene as a Potential Core Scaffold for the Non-Covalent Inhibitors of SARS-CoV-2 3CL Main Protease.
Barbara Herlah, Andrej Hoivik, Luka Jamšek, Katja Valjavec, Norio Yamamoto, Andrej Perdih

Pharmaceuticals (Basel)· April 2022

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Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study.
Maja Vitorović-Todorović, Ilija Cvijetić, Mire Zloh, Andrej Perdih

J Biomol Struct Dyn· March 2022

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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα.
Matej Janežič, Katja Valjavec, Kaja Bergant Loboda, Barbara Herlah, Iza Ogris, Andrej Perdih

Int J Mol Sci· December 2021

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All-Atom Simulations Reveal a Key Interaction Network in the HLA-E/NKG2A/CD94 Immune Complex Fine-Tuned by the Nonameric Peptide.
Eva Prašnikar, Andrej Perdih, Jure Borišek

J Chem Inf Model· July 2021

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Evaluation of Firefly and Luciferase Inhibition in Reporter-Gene Assays: A Case of Isoflavonoids.
Maša Kenda, Jan Vegelj, Barbara Herlah, Andrej Perdih, Přemysl Mladěnka

Int J Mol Sci· June 2021

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Nonameric Peptide Orchestrates Signal Transduction in the Activating HLA-E/NKG2C/CD94 Immune Complex as Revealed by All-Atom Simulations.
Eva Prašnikar, Andrej Perdih, Jure Borišek

Int J Mol Sci· June 2021

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Senescent cells as promising targets to tackle age-related diseases.
Eva Prašnikar, Jure Borišek, Andrej Perdih

Ageing Res Rev· March 2021

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Potential modulating effect of the Ascaris suum nicotinic acetylcholine receptor (nAChR) by compounds GSK575594A, diazepam and flumazenil discovered by structure-based virtual screening approach.
Strahinja Stevanovic, Djordje S Marjanović, Sasa M Trailović, Nemanja Zdravković, Andrej Perdih

Mol Biochem Parasitol· March 2021

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