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R. Kurczab · SciRah

Researcher profile · Semantic Scholar

R. Kurczab

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R. Kurczab — researcher profile on SciRah

h-index: 24
Works: 117
Citations: 1,666

Most-cited papers

Salt Bridge in Ligand-Protein Complexes - Systematic Theoretical and Statistical Investigations
R. Kurczab, Paweł Śliwa, Krzysztof Rataj, Rafal Kafel +1 more
2018Journal of Chemical Information and Modeling84 citations
Semantic Scholar
The influence of negative training set size on machine learning-based virtual screening
R. Kurczab, Sabina Smusz, A. Bojarski
2014Journal of Cheminformatics73 citations Open access
Semantic Scholar
Hydrogen Bonds with Fluorine in Ligand–Protein Complexes-the PDB Analysis and Energy Calculations
Wojciech Pietruś, Rafal Kafel, A. Bojarski, R. Kurczab
2022Molecules44 citations Open access
Semantic Scholar
Towards new 5-HT7 antagonists among arylsulfonamide derivatives of (aryloxy)ethyl-alkyl amines: Multiobjective based design, synthesis, and antidepressant and anxiolytic properties.
Vittorio Canale, R. Kurczab, A. Partyka, G. Satała +5 more
2016European journal of medicinal chemistry40 citations Open access
Semantic Scholar
The computer-aided discovery of novel family of the 5-HT6 serotonin receptor ligands among derivatives of 4-benzyl-1,3,5-triazine.
D. Łażewska, R. Kurczab, M. Więcek, K. Kamińska +7 more
2017European journal of medicinal chemistry33 citations Open access
Semantic Scholar
Structure-activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT(7) and 5-HT(1A) receptor ligands.
L. Salerno, V. Pittalà, M. Modica, M. Siracusa +6 more
2014European journal of medicinal chemistry33 citations Open access
Semantic Scholar
Fluorinated indole-imidazole conjugates: Selective orally bioavailable 5-HT7 receptor low-basicity agonists, potential neuropathic painkillers.
A. Hogendorf, A. Hogendorf, K. Popiołek-Barczyk, Agata Ciechanowska +18 more
2019European journal of medicinal chemistry30 citations Open access
Semantic Scholar
Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor.
R. Kurczab, Vittorio Canale, G. Satała, P. Zajdel +1 more
2018Journal of Medicinal Chemistry30 citations Open access
Semantic Scholar
Identification of Novel Serotonin Transporter Compounds by Virtual Screening
Mari Gabrielsen, R. Kurczab, A. Siwek, Małgorzata Wolak +8 more
2014Journal of Chemical Information and Modeling29 citations Open access
Semantic Scholar
Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties.
J. Staroń, R. Kurczab, D. Warszycki, G. Satała +13 more
2019European journal of medicinal chemistry28 citations Open access
Semantic Scholar
The Significance of Halogen Bonding in Ligand–Receptor Interactions: The Lesson Learned from Molecular Dynamic Simulations of the D4 Receptor
R. Kurczab, Katarzyna Kucwaj-Brysz, Paweł Śliwa
2019Molecules28 citations Open access
Semantic Scholar
Dual 5-HT6 and D3 Receptor Antagonists in a Group of 1 H-Pyrrolo[3,2- c]quinolines with Neuroprotective and Procognitive Activity.
Katarzyna Grychowska, Séverine Chaumont-Dubel, R. Kurczab, Paulina Koczurkiewicz +14 more
2019ACS Chemical Neuroscience26 citations Open access
Semantic Scholar
Design, synthesis, and biological evaluation of novel combretastatin A-4 thio derivatives as microtubule targeting agents.
T. Stefański, R. Mikstacka, R. Kurczab, Zbigniew Dutkiewicz +8 more
2018European journal of medicinal chemistry26 citations
Semantic Scholar
The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy.
R. Kurczab
2017Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials26 citations
Semantic Scholar
The impact of the halogen bonding on D2 and 5-HT1A/5-HT7 receptor activity of azinesulfonamides of 4-[(2-ethyl)piperidinyl-1-yl]phenylpiperazines with antipsychotic and antidepressant properties.
A. Partyka, R. Kurczab, Vittorio Canale, G. Satała +7 more
2017Bioorganic & Medicinal Chemistry26 citations Open access
Semantic Scholar
Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT6.
Wesam Ali, M. Więcek, D. Łażewska, R. Kurczab +14 more
2019European journal of medicinal chemistry25 citations Open access
Semantic Scholar
Tuning the activity of known drugs via the introduction of halogen atoms, a case study of SERT ligands - Fluoxetine and fluvoxamine.
J. Staroń, Wojciech Pietruś, R. Bugno, R. Kurczab +8 more
2021European journal of medicinal chemistry24 citations Open access
Semantic Scholar
Structure-Based Design and Optimization of FPPQ, a Dual-Acting 5-HT3 and 5-HT6 Receptor Antagonist with Antipsychotic and Procognitive Properties
P. Zajdel, Katarzyna Grychowska, S. Mogilski, R. Kurczab +15 more
2021Journal of Medicinal Chemistry24 citations Open access
Semantic Scholar
Are the Hydantoin-1,3,5-triazine 5-HT6R Ligands a Hope to a Find New Procognitive and Anti-Obesity Drug? Considerations Based on Primary In Vivo Assays and ADME-Tox Profile In Vitro
Annamaria Lubelska, G. Latacz, M. Jastrzębska-Więsek, M. Kotańska +9 more
2019Molecules24 citations Open access
Semantic Scholar
Novel 5-HT7R antagonists, arylsulfonamide derivatives of (aryloxy)propyl piperidines: Add-on effect to the antidepressant activity of SSRI and DRI, and pro-cognitive profile.
Vittorio Canale, A. Partyka, R. Kurczab, M. Krawczyk +8 more
2017Bioorganic & Medicinal Chemistry24 citations Open access
Semantic Scholar
Pharmacoprint - a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design
D. Warszycki, L. Struski, Marek Śmieja, Rafal Kafel +1 more
2021Journal of Chemical Information and Modeling23 citations Open access
Semantic Scholar
A dual-acting 5-HT6 receptor inverse agonist/MAO-B inhibitor displays glioprotective and pro-cognitive properties.
Vittorio Canale, Katarzyna Grychowska, R. Kurczab, Mateusz Ryng +16 more
2020European journal of medicinal chemistry23 citations Open access
Semantic Scholar
Low-basicity 5-HT7 Receptor Agonists Synthesized Using the van Leusen Multicomponent Protocol
A. Hogendorf, A. Hogendorf, R. Kurczab, G. Satała +11 more
2017Scientific Reports23 citations Open access
Semantic Scholar
Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands.
Vittorio Canale, Paweł Guzik, R. Kurczab, P. Verdié +7 more
2014European journal of medicinal chemistry23 citations Open access
Semantic Scholar
Computer-Aided Studies for Novel Arylhydantoin 1,3,5-Triazine Derivatives as 5-HT6 Serotonin Receptor Ligands with Antidepressive-Like, Anxiolytic and Antiobesity Action In Vivo
R. Kurczab, Wesam Ali, D. Łażewska, M. Kotańska +12 more
2018Molecules22 citations Open access
Semantic Scholar
Computer-aided insights into receptor-ligand interaction for novel 5-arylhydantoin derivatives as serotonin 5-HT7 receptor agents with antidepressant activity.
Katarzyna Kucwaj-Brysz, R. Kurczab, M. Jastrzębska-Więsek, Ewa Żesławska +8 more
2018European journal of medicinal chemistry21 citations Open access
Semantic Scholar
New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT7 and 5-HT1A receptor ligands: Synthesis, structure-activity relationships, and molecular modeling studies.
Sebastiano Intagliata, M. Modica, V. Pittalà, L. Salerno +5 more
2017Bioorganic & Medicinal Chemistry20 citations Open access
Semantic Scholar
Imidazopyridine-Based 5-HT6 Receptor Neutral Antagonists: Impact of N1-Benzyl and N1-Phenylsulfonyl Fragments on Different Receptor Conformational States.
David Vanda, Vittorio Canale, Séverine Chaumont-Dubel, R. Kurczab +11 more
2021Journal of Medicinal Chemistry18 citations Open access
Semantic Scholar
Chlorine substituents and linker topology as factors of 5-HT6R activity for novel highly active 1,3,5-triazine derivatives with procognitive properties in vivo.
Sylwia Sudoł, Katarzyna Kucwaj-Brysz, R. Kurczab, N. Wilczyńska +13 more
2020European journal of medicinal chemistry18 citations Open access
Semantic Scholar
Synthesis, computational and experimental pharmacological studies for (thio)ether-triazine 5-HT6R ligands with noticeable action on AChE/BChE and chalcogen-dependent intrinsic activity in search for new class of drugs against Alzheimer's disease.
Kinga Czarnota-Łydka, Sylwia Sudoł-Tałaj, Katarzyna Kucwaj-Brysz, R. Kurczab +21 more
2023European journal of medicinal chemistry17 citations Open access
Semantic Scholar
2-Aminoimidazole-based antagonists of the 5-HT6 receptor - A new concept in aminergic GPCR ligand design.
A. Hogendorf, A. Hogendorf, R. Kurczab, J. Kalinowska‐Tłuścik +17 more
2019European journal of medicinal chemistry17 citations Open access
Semantic Scholar
N-Alkylated arylsulfonamides of (aryloxy)ethyl piperidines: 5-HT(7) receptor selectivity versus multireceptor profile.
Vittorio Canale, R. Kurczab, A. Partyka, G. Satała +9 more
2016Bioorganic & Medicinal Chemistry16 citations Open access
Semantic Scholar
Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands.
Sabina Smusz, R. Kurczab, G. Satała, A. Bojarski
2015Bioorganic & Medicinal Chemistry Letters16 citations Open access
Semantic Scholar
Towards novel 5-HT7versus 5-HT1A receptor ligands among LCAPs with cyclic amino acid amide fragments: design, synthesis, and antidepressant properties. Part II.
Vittorio Canale, R. Kurczab, A. Partyka, G. Satała +6 more
2015European journal of medicinal chemistry16 citations Open access
Semantic Scholar
Overcoming undesirable hERG affinity by incorporating fluorine atoms: A case of MAO-B inhibitors derived from 1 H-pyrrolo-[3,2-c]quinolines.
Katarzyna Grychowska, Agnieszka Olejarz-Maciej, Klaudia Blicharz, Wojciech Pietruś +19 more
2022European journal of medicinal chemistry15 citations Open access
Semantic Scholar
How can fluorine directly and indirectly affect the hydrogen bonding in molecular systems? - A case study for monofluoroanilines.
Wojciech Pietruś, R. Kurczab, Rafal Kafel, E. Machalska +5 more
2021Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy15 citations Open access
Semantic Scholar
Antifungal, anticancer, and docking studies of colchiceine complexes with monovalent metal cation salts
Joanna Kurek, Patrycja Kwaśniewska-Sip, Krzysztof Myszkowski, G. Cofta +5 more
2019Chemical Biology and Drug Design14 citations
Semantic Scholar
Synthesis and computer-aided analysis of the role of linker for novel ligands of the 5-HT6 serotonin receptor among substituted 1,3,5-triazinylpiperazines.
D. Łażewska, R. Kurczab, M. Więcek, G. Satała +2 more
2019Bioorganic chemistry (Print)14 citations Open access
Semantic Scholar
Arylsulfonamide derivatives of (aryloxy)ethylpiperidines as selective 5-HT7 receptor antagonists and their psychotropic properties
P. Zajdel, Vittorio Canale, A. Partyka, Krzysztof Marciniec +8 more
201514 citations Open access
Semantic Scholar
Pyrroloquinoline scaffold-based 5-HT6R ligands: Synthesis, quantum chemical and molecular dynamic studies, and influence of nitrogen atom position in the scaffold on affinity.
Katarzyna Grychowska, R. Kurczab, Paweł Śliwa, G. Satała +6 more
2018Bioorganic & Medicinal Chemistry13 citations Open access
Semantic Scholar
From NMR to AI: Designing a Novel Chemical Representation to Enhance Machine Learning Predictions of Physicochemical Properties
Arkadiusz Leniak, Wojciech Pietruś, R. Kurczab
2024Journal of Chemical Information and Modeling12 citations
Semantic Scholar
An exit beyond the pharmacophore model for 5-HT6R agents - a new strategy to gain dual 5-HT6/5-HT2A action for triazine derivatives with procognitive potential.
Katarzyna Kucwaj-Brysz, Wesam Ali, R. Kurczab, Sylwia Sudoł-Tałaj +12 more
2022Bioorganic chemistry (Print)12 citations Open access
Semantic Scholar
2-Phenyl-1H-pyrrole-3-carboxamide as a New Scaffold for Developing 5-HT6 Receptor Inverse Agonists with Cognition-Enhancing Activity
M. Drop, Vittorio Canale, Séverine Chaumont-Dubel, R. Kurczab +18 more
2021ACS Chemical Neuroscience12 citations Open access
Semantic Scholar
7-Deacetyl-10-alkylthiocolchicine derivatives - new compounds with potent anticancer and fungicidal activity.
Joanna Kurek, Patrycja Kwaśniewska-Sip, Krzysztof Myszkowski, G. Cofta +4 more
2018MedChemComm12 citations Open access
Semantic Scholar
An Algorithm to Identify Target-Selective Ligands – A Case Study of 5-HT7/5-HT1A Receptor Selectivity
R. Kurczab, Vittorio Canale, P. Zajdel, A. Bojarski
2016PLoS ONE12 citations Open access
Semantic Scholar
Superiority of the Triple-Acting 5-HT6R/5-HT3R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT6R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats
Katarzyna Grychowska, Uriel López-Sánchez, Mathieu Vitalis, Geoffrey Canet +22 more
2023Journal of Medicinal Chemistry11 citations Open access
Semantic Scholar
Recognition of repulsive and attractive regions of selected serotonin receptor binding site using FMO-EDA approach
Paweł Śliwa, R. Kurczab, Rafal Kafel, A. Drabczyk +1 more
2019Journal of Molecular Modeling11 citations Open access
Semantic Scholar
Synthesis, molecular docking study, and evaluation of the antiproliferative action of a new group of propargylthio- and propargylselenoquinolines
Krzysztof Marciniec, M. Latocha, S. Boryczka, R. Kurczab
2014Medicinal Chemistry Research11 citations
Semantic Scholar
PluGeN: Multi-Label Conditional Generation From Pre-Trained Models
Maciej Wołczyk, Magdalena Proszewska, Lukasz Maziarka, Maciej Ziȩba +3 more
2021AAAI Conference on Artificial Intelligence10 citations Open access
Semantic Scholar
The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening
R. Kurczab, A. Bojarski
2017PLoS ONE10 citations Open access
Semantic Scholar

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