Drug Design and Discovery

[¹⁸F]MK-7246 for Positron Emission Tomography Imaging of the Beta-Cell Surface Marker GPR44

Cheung, Pierre; Amin, Mohammad A.; Zhang, Bo; Lechi, Francesco et al.

Part of Pharmaceutics, 2023

• DOI for [¹⁸F]MK-7246 for Positron Emission Tomography Imaging of the Beta-Cell Surface Marker GPR44
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2-Alkyl substituted benzimidazoles as a new class of selective AT2 receptor ligands

Roy, Tamal; Petersen, Nadia N.; Gopalan, Greeshma; Gising, Johan et al.

Part of Bioorganic & Medicinal Chemistry, 2022

• DOI for 2-Alkyl substituted benzimidazoles as a new class of selective AT2 receptor ligands
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A Base-Free, Low Temperature Click and Release Reaction for the In Situ Generation of Diazomethane

Schembri, Luke S; Olaniran, Esther; Söderström, Marcus; Skillinghaug, Bobo et al.

Part of Advanced Synthesis and Catalysis, p. 1839-1845, 2023

• DOI for A Base-Free, Low Temperature Click and Release Reaction for the In Situ Generation of Diazomethane
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A Genetically Encoded Picolyl Azide for Improved Live Cell Copper Click Labeling

Meineke, Birthe; Heimgärtner, Johannes; Craig, Alexander J.; Landreh, Michael et al.

Part of Frontiers in Chemistry, 2021

• DOI for A Genetically Encoded Picolyl Azide for Improved Live Cell Copper Click Labeling
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A Study of an 8-Aminoquinoline-Directed C(sp(2))-H Arylation Reaction on the Route to Chiral Cyclobutane Keto Acids from Myrtenal

Lati, Monireh Pourghasemi; Stahle, Jonas; Meyer, Michael; Verho, Oscar

Part of Journal of Organic Chemistry, p. 8527-8537, 2021

• DOI for A Study of an 8-Aminoquinoline-Directed C(sp(2))-H Arylation Reaction on the Route to Chiral Cyclobutane Keto Acids from Myrtenal
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An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice

Skogh, Anna; Lesniak, Anna; Sköld, Christian; Karlgren, Maria et al.

Part of Bioorganic & Medicinal Chemistry Letters, p. 2446-2450, 2018

• DOI for An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice

Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation

Benediktsdottir, Andrea; Lu, Lu; Cao, Sha; Zamaratski, Edouard et al.

Part of European Journal of Medicinal Chemistry, 2021

• DOI for Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation
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Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria

Huseby, Douglas L.; Cao, Sha; Zamaratski, Edouard; Sooriyaarachchi, Sanjeewani et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2024

• DOI for Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria
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Antimicrobial Peptides Incorporating Halogenated Marine-Derived Amino Acid Substituents

Craig, Alexander J.; Ermolovich, Yuri; Cameron, Alan; Rodler, Agnes et al.

Part of ACS Medicinal Chemistry Letters, p. 802-809, 2023

• DOI for Antimicrobial Peptides Incorporating Halogenated Marine-Derived Amino Acid Substituents

Bacterial type I signal peptidase inhibitors-Optimized hits from nature

Szalaj, Natalia; Benediktsdottir, Andrea; Rusin, Dominika; Karlén, Anders et al.

Part of European Journal of Medicinal Chemistry, 2022

• DOI for Bacterial type I signal peptidase inhibitors-Optimized hits from nature

Benzothiadiazole-based donor-acceptor fluorophores: Synthesis and structure-property relationship

Aidanpää, Louise

2021

Benzylhydroxamic acids as inhibitors of insulin regulated aminopeptidase (IRAP)

Beveridge, Julia; Söderström, Marcus; Prieto-Díaz, Rubén; Gutierrez-de-Teran, Hugo et al.

Part of European Journal of Medicinal Chemistry Reports, 2024

• DOI for Benzylhydroxamic acids as inhibitors of insulin regulated aminopeptidase (IRAP)
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Bifunctional and regenerable molecular electrode for water electrolysis at neutral pH

Das, Biswanath; Toledo-Carrillo, Esteban A.; Li, Guoqi; Stahle, Jonas et al.

Part of Journal of Materials Chemistry A, p. 13331-13340, 2023

• DOI for Bifunctional and regenerable molecular electrode for water electrolysis at neutral pH
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C1 Building Blocks: New Approaches for Thiomethylations and Esterification

Söderström, Marcus

2023

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Carboxylate and coordination influence on the formation of an active RuV Oxo species

El-Abid, Jamal; Dorst, Kevin M.; Inge, Andrew K.; Verho, Oscar et al.

Part of Scientific Reports, 2025

• DOI for Carboxylate and coordination influence on the formation of an active RuV Oxo species
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Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)

Felgate, Stacey; Craig, Alexander J.; Moodie, Lindon W. K.; Hawkes, Jeffrey A.

Part of Analytical Chemistry, p. 6559-6567, 2023

• DOI for Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
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Characterization of More Selective Central Nervous System Nrf2-Activating Novel Vinyl Sulfoximine Compounds Compared to Dimethyl Fumarate

Carlström, Karl E.; Chinthakindi, Praveen K.; Espinosa, Belen; Al Nimer, Faiez et al.

Part of NEUROTHERAPEUTICS, p. 1142-1152, 2020

• DOI for Characterization of More Selective Central Nervous System Nrf2-Activating Novel Vinyl Sulfoximine Compounds Compared to Dimethyl Fumarate
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Chemotherapeutics Combined with Luminal Irritants: Effects on Small-Intestinal Mannitol Permeability and Villus Length in Rats

Cano-Cebrian, Maria-Jose; Dahlgren, David; Kullenberg, Fredrik; Peters, Karsten et al.

Part of International Journal of Molecular Sciences, 2022

• DOI for Chemotherapeutics Combined with Luminal Irritants: Effects on Small-Intestinal Mannitol Permeability and Villus Length in Rats
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Cobalt Electrocatalyst on Fluorine Doped Carbon Cloth - a Robust and Partially Regenerable Anode for Water Oxidation

Das, Biswanath; Toledo-Carrillo, Esteban Alejandro; Li, Lin; Ye, Fei et al.

Part of ChemCatChem, 2022

• DOI for Cobalt Electrocatalyst on Fluorine Doped Carbon Cloth - a Robust and Partially Regenerable Anode for Water Oxidation

Co-complexes on modified graphite surface for steady green hydrogen production from water at neutral pH

Toledo-Carrillo, Esteban A.; Garcia-Rodriguez, Mario; Morallon, Emilia; Cazorla-Amoros, Diego et al.

Part of Frontiers in Chemistry, 2024

• DOI for Co-complexes on modified graphite surface for steady green hydrogen production from water at neutral pH
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Computational Investigation of Oxidative Addition Step in Palladium-catalyzed Reactions

Wijitchakhorn, Watthachak

2025

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Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs

Olanders, Gustav; Brandt, Peter; Sköld, Christian; Karlen, Anders

Part of Bioorganic & Medicinal Chemistry, 2021

• DOI for Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs
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Conformational Analysis of Macrocycles: Comparing General and Specialized Methods

Olanders, Gustav; Alogheli, Hiba; Brandt, Peter; Karlén, Anders

Part of Journal of Computer-Aided Molecular Design, p. 231-252, 2020

• DOI for Conformational Analysis of Macrocycles: Comparing General and Specialized Methods
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Conformational Changes in Insulin Regulated Aminopeptidase

Moes, Sebastian

2021

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Creating New Antifoulants Using the Tools and Tactics of Medicinal Chemistry

Cahill, Patrick L.; Moodie, Lindon W. K.; Hertzer, Cora; Pinori, Emiliano et al.

Part of Accounts of Chemical Research, p. 399-412, 2024

• DOI for Creating New Antifoulants Using the Tools and Tactics of Medicinal Chemistry

Design of a Stapled Peptide Targeting KLHL20^Kelch: A Computational and Biosensor-based Approach

Myers, Nadine; Cadot, Marie Elodie Helene; Varga, Julia; Diallo, Marcel et al.

Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors

Benediktsdottir, Andrea; Sooriyaarachchi, Sanjeewani; Cao, Sha; Ottosson, Nina E. et al.

Part of European Journal of Medicinal Chemistry, 2024

• DOI for Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors
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Development of an improved psilocybin synthesis

Shaba, Reham

2020

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Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide

Karjalainen, Jouni; Henschel, Henning; Nissi, Mikko J.; Nieminen, Miika T. et al.

Part of Journal of Physical Chemistry B, p. 2538-2551, 2022

• DOI for Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide
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Drug Design of β-Lactamase Inhibitors of the DBO-scaffold against OXA-48: A Molecular Dynamics Study of Ligand Stability in the Michaelis Complex

Liljeholm, Linda

2022

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Drug Resistance and Endoplasmic Reticulum Stress in Hepatocellular Carcinoma

Khaled, Jaafar; Kopsida, Maria; Lennernäs, Hans; Heindryckx, Femke

Part of Cells, 2022

• DOI for Drug Resistance and Endoplasmic Reticulum Stress in Hepatocellular Carcinoma
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Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Aro, Olli-Pekka; Casula, Victor; Hänninen, Nina E.; Karjalainen, Jouni et al.

Part of Heliyon, 2025

• DOI for Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Electrochemical Palladium-Catalyzed Oxidative Carbonylation-Cyclization of Enallenols

Zhang, Jianwei; Das, Biswanath; Verho, Oscar; Bäckvall, Jan-E.

Part of Angewandte Chemie International Edition, 2022

• DOI for Electrochemical Palladium-Catalyzed Oxidative Carbonylation-Cyclization of Enallenols
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Bani Al Marjeh, Enas

2023

• DOI for -: -

ENABLE: an engine for European antibacterial drug discovery and development

Olliver, Marie; Griestop, Laura; Hughes, Diarmaid; Belfrage, Anna Karin et al.

Part of Nature reviews. Drug discovery, p. 407-408, 2021

• DOI for ENABLE: an engine for European antibacterial drug discovery and development

Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions

Byrne, Liam; Sköld, Christian; Norrby, Per-Ola; Munday, Rachel H. et al.

Part of Advanced Synthesis and Catalysis, p. 259-267, 2021

• DOI for Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions

Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

Löffler, Paul; Lai, Adelene; Henschel, Henning; Spilsbury, Francis et al.

Part of ACS - ES & T Water, p. 1949-1951, 2024

• DOI for Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis
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Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health

Löffler, Paul; Henschel, Henning; Ugolini, Valentina; Flores Quintana, Harold et al.

Part of ACS - ES & T Water, 2025

• DOI for Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health

Green multifunctional palladium nanoparticles from polysaccharide cordia myxa (CMY) gum: Synthesis, characterization, and antibacterial activity

Nagaraja, Kasula; Bagineni, Prasad; Almarhoon, Zainab M.; Oh, Tae Hwan

Part of Colloids and Surfaces A, 2023

• DOI for Green multifunctional palladium nanoparticles from polysaccharide cordia myxa (CMY) gum: Synthesis, characterization, and antibacterial activity

High affinity rigidified AT(2) receptor ligands with indane scaffolds

Wallinder, Charlotta; Sköld, Christian; Sundholm, Sara; Guimond, Marie-Odile et al.

Part of MedChemComm, p. 2146-2160, 2019

• DOI for High affinity rigidified AT(2) receptor ligands with indane scaffolds
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Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

Caldeweyher, Eike; Elkin, Masha; Gheibi, Golsa; Johansson, Magnus et al.

Part of Journal of the American Chemical Society, p. 17367-17376, 2023

• DOI for Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

Identification of a C2-symmetric diol based human immunodeficiency virus protease inhibitor targeting Zika virus NS2B-NS3 protease

Akaberi, Dario; Chinthakindi, Praveen K.; Båhlström, Amanda; Palanisamy, Navaneethan et al.

Part of Journal of Biomolecular Structure and Dynamics, p. 5526-5536, 2020

• DOI for Identification of a C2-symmetric diol based human immunodeficiency virus protease inhibitor targeting Zika virus NS2B-NS3 protease
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Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries

Akaberi, Dario; Pourghasemi, Monireh; Krambrich, Janina; Berger, Julia et al.

Part of Antimicrobial Agents and Chemotherapy, p. 1-18, 2024

• DOI for Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries
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Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors

Brem, Jürgen; Panduwawala, Tharindi; Hansen, Jon Ulf; Hewitt, Joanne et al.

Part of Nature Chemistry, p. 15-24, 2022

• DOI for Imitation of β-lactam binding enables broad-spectrum metallo-β-lactamase inhibitors

Influence of Detergent and Lipid Composition on Reconstituted Membrane Proteins for Structural Studies

Mouhib, Mohammed; Benediktsdottir, Andrea; Svensson Nilsson, Caroline; Chi, Celestine N.

Part of ACS Omega, p. 24377-24381, 2021

• DOI for Influence of Detergent and Lipid Composition on Reconstituted Membrane Proteins for Structural Studies
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Influence of extracellular matrix composition on tumour cell behaviour in a biomimetic in vitro model for hepatocellular carcinoma

Calitz, Carlemi; Rosenquist, Jenny; Degerstedt, Oliver; Khaled, Jaafar et al.

Part of Scientific Reports, 2023

• DOI for Influence of extracellular matrix composition on tumour cell behaviour in a biomimetic in vitro model for hepatocellular carcinoma
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Intestinal absorption of BCS class II drugs administered as nanoparticles: A review based on in vivo data from intestinal perfusion models

Dahlgren, David; Sjögren, Erik; Lennernäs, Hans

Part of ADMET & DMPK, p. 375-390, 2020

• DOI for Intestinal absorption of BCS class II drugs administered as nanoparticles: A review based on in vivo data from intestinal perfusion models
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Investigating morphological changes in human lung fibroblasts exposed toTGF-β1, PDGF-BB, FGF-1, andFGF-2, mimicking idiopathic pulmonary fibrosis using the cellpainting assay

Haidari, Shegofa

2024

Investigation and design of 1,2,4-oxadiazole-based ligands for Sirtuin 2

Cardona Perez, Pablo

2024

Investigation of the Deactivation and Reactivation Mechanism of a Heterogeneous Palladium(II) Catalyst in the Cycloisomerization of Acetylenic Acids by In Situ XAS

Yuan, Ning; Gudmundsson, Arnar; Gustafson, Karl P. J.; Oschmann, Michael et al.

Part of ACS Catalysis, p. 2999-3008, 2021

• DOI for Investigation of the Deactivation and Reactivation Mechanism of a Heterogeneous Palladium(II) Catalyst in the Cycloisomerization of Acetylenic Acids by In Situ XAS
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