Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties

Jakub Staroń, Rafał Kurczab, Dawid Warszycki, +14

European Journal of Medicinal Chemistry

A Linear Combination of Pharmacophore Hypotheses as a New Tool in Search of New Active Compounds – An Application for 5-HT1A Receptor Ligands

Dawid Warszycki, Stefan Mordalski, Kurt Kristiansen, +4

PLoS ONE

Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design

Dawid Warszycki, Łukasz Struski, Marek Śmieja, +2

Journal of Chemical Information and Modeling

Tuning the activity of known drugs via the introduction of halogen atoms, a case study of SERT ligands – Fluoxetine and fluvoxamine

Jakub Staroń, Wojciech Pietruś, Ryszard Bugno, +9

European Journal of Medicinal Chemistry

HalogenationMolecular PharmacologyMedicinal ChemistryBiochemistryDrug Design +11

Soloxolone methyl inhibits influenza virus replication and reduces virus-induced lung inflammation

Andrey V. Markov, Alexandra V. Sen’kova, Dawid Warszycki, +3

Scientific Reports

Ligand-Based Virtual Screening in a Search for Novel Anti-HIV-1 Chemotypes

Agata Kurczyk, Dawid Warszycki, Robert Musioł, +3

Journal of Chemical Information and Modeling

Drug TargetHit IdentificationImmunologyAntiviral DrugChemical Biology +19

Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor

T. Freyd, Dawid Warszycki, Stefan Mordalski, +3

PLoS ONE

Molecular BiologyGabab2 SubunitMolecular PharmacologyGabab2 SubunitsMolecular Neuroscience +21

From Homology Models to a Set of Predictive Binding Pockets–a 5-HT_1A Receptor Case Study

Dawid Warszycki, Manuel Rueda, Stefan Mordalski, +7

Journal of Chemical Information and Modeling

Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation

Katarzyna Kucwaj‐Brysz, Dawid Warszycki, Sabina Podlewska, +10

European Journal of Medicinal Chemistry

Molecular PharmacologyEngineeringBiochemistryRational DesignMedicine +8

Straightforward synthesis of 2,4,6-trisubstituted 1,3,5-triazine compounds targeting cysteine cathepsins K and S

Elżbieta Plebanek, Florian Chevrier, Vincent Roy, +6

European Journal of Medicinal Chemistry

Bioorganic ChemistryCysteine Cathepsins KBiochemistryNatural SciencesMedicine +9