Jan Kihlberg

How Big Is Too Big for Cell Permeability?

Matsson, Pär; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 1662-1664, 2017

• DOI for How Big Is Too Big for Cell Permeability?

Drug discovery beyond the rule of 5-Opportunities and challenges

Doak, Bradley C.; Kihlberg, Jan

Part of Expert Opinion on Drug Discovery, p. 115-119, 2017

• DOI for Drug discovery beyond the rule of 5-Opportunities and challenges

Collagen epitope expression on B cells is sufficient to confer tolerance to collagen-induced arthritis

Andersson, Sofia E. M.; Eneljung, Tove; Tengvall, Sara; Jirholt, Pernilla et al.

Part of Arthritis Research & Therapy, 2016

• DOI for Collagen epitope expression on B cells is sufficient to confer tolerance to collagen-induced arthritis
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Gene Therapy Induces Antigen-Specific Tolerance in Experimental Collagen-Induced Arthritis

Tengvall, Sara; Eneljung, Tove; Jirholt, Pernilla; Turesson, Olof et al.

Part of PLOS ONE, 2016

• DOI for Gene Therapy Induces Antigen-Specific Tolerance in Experimental Collagen-Induced Arthritis
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Structural and conformational determinants of macrocycle cell permeability

Over, Bjorn; Matsson, Pär; Tyrchan, Christian; Artursson, Per et al.

Part of Nature Chemical Biology, p. 1065-+, 2016

• DOI for Structural and conformational determinants of macrocycle cell permeability

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets.

Doak, Bradley C; Zheng, Jie; Dobritzsch, Doreen; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 2312-2327, 2016

• DOI for How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets.

Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability

Andersson, Vincent; Bergström, Fredrik; Branalt, Jonas; Grönberg, Gunnar et al.

Part of Journal of Medicinal Chemistry, p. 6658-6670, 2016

• DOI for Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability

Cell permeability beyond the rule of 5

Matsson, Pär; Doak, Bradley C.; Over, Björn; Kihlberg, Jan

Part of Advanced Drug Delivery Reviews, p. 42-61, 2016

• DOI for Cell permeability beyond the rule of 5

Mild Oxidative Cleavage of 9-BBN-Protected Amino Acid Derivatives

Ankner, Tobias; Norberg, Thomas; Kihlberg, Jan

Part of European Journal of Organic Chemistry, p. 3767-3770, 2015

• DOI for Mild Oxidative Cleavage of 9-BBN-Protected Amino Acid Derivatives

Hydroxyethylene isosteres introduced in type II collagen fragments substantially alter the structure and dynamics of class II MHC A(q)/glycopeptide complexes

Lindgren, Cecilia; Andersson, Ida E.; Berg, Lotta; Dobritzsch, Doreen et al.

Part of Organic and biomolecular chemistry, p. 6203-6216, 2015

• DOI for Hydroxyethylene isosteres introduced in type II collagen fragments substantially alter the structure and dynamics of class II MHC A(q)/glycopeptide complexes
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Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Doak, Bradley Croy; Over, Bjorn; Giordanetto, Fabrizio; Kihlberg, Jan

Part of Chemistry and Biology, p. 1115-1142, 2014

• DOI for Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Macrocyclic drugs and clinical candidates - what are the limits of oral bioavailability?

Doak, Bradley; Over, Bjorn; Giordanetto, Fabrizio; Kihlberg, Jan

Part of Abstracts of Papers of the American Chemical Society, 2014

Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?

Giordanetto, Fabrizio; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 278-95, 2014

• DOI for Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?

Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties

Over, Bjorn; McCarren, Patrick; Artursson, Per; Foley, Michael et al.

Part of Journal of Medicinal Chemistry, p. 2746-2754, 2014

• DOI for Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties

Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity

Panel, Nicolas; Vo, Duy Duc; Hübner, Harald; Deluigi, Mattia et al.

Part of Nature Communications, 2026

• DOI for Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity
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Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound

Wieske, Lianne H. E.; Bu, Guanhong; Erdélyi, Máté; Kihlberg, Jan et al.

Part of Chemistry - A European Journal, 2026

• DOI for Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound
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Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

Cabeza de Vaca, Israel; Trapkov, Boris; Shen, Ling; Vo, Duy Duc et al.

Part of Nature Communications, 2025

• DOI for Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139
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Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space

Luttens, Andreas; Vo, Duc Duy; Scaletti, Emma; Wiita, Elisée et al.

Part of Nature Communications, 2025

• DOI for Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space
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Autoantibodies to joint-related peptides as predictive markers in early rheumatoid arthritis

Leu Agelii, Monica; Sareila, Outi; Lönnblom, Erik; Cheng, Lei et al.

Part of Rheumatology, p. 2227-2232, 2025

• DOI for Autoantibodies to joint-related peptides as predictive markers in early rheumatoid arthritis
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Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity

Panel, Nicolas; Vo, Duy Duc; Hübner, Harald; Deluigi, Mattia et al.

Part of Nature Communications, 2026

• DOI for Docking of virtual libraries identifies small-molecule agonists of neurotensin receptors with analgesic activity
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Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound

Wieske, Lianne H. E.; Bu, Guanhong; Erdélyi, Máté; Kihlberg, Jan et al.

Part of Chemistry - A European Journal, 2026

• DOI for Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound
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Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139

Cabeza de Vaca, Israel; Trapkov, Boris; Shen, Ling; Vo, Duy Duc et al.

Part of Nature Communications, 2025

• DOI for Ultra-large virtual screening unveils potent agonists of the neuromodulatory orphan receptor GPR139
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Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space

Luttens, Andreas; Vo, Duc Duy; Scaletti, Emma; Wiita, Elisée et al.

Part of Nature Communications, 2025

• DOI for Virtual Fragment Screening for DNA Repair Inhibitors in Vast Chemical Space
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Autoantibodies to joint-related peptides as predictive markers in early rheumatoid arthritis

Leu Agelii, Monica; Sareila, Outi; Lönnblom, Erik; Cheng, Lei et al.

Part of Rheumatology, p. 2227-2232, 2025

• DOI for Autoantibodies to joint-related peptides as predictive markers in early rheumatoid arthritis
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Tolerogenic antigen-specific vaccine induces VISTA-enriched regulatory T cells and protects against arthritis in DRB1*04:01 mice

Romero-Castillo, Laura; Pandey, Rajan Kumar; Xu, Bingze; Beusch, Christian M. et al.

Part of Molecular Therapy, p. 3528-3545, 2025

• DOI for Tolerogenic antigen-specific vaccine induces VISTA-enriched regulatory T cells and protects against arthritis in DRB1*04:01 mice
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Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor

Nguyen, Anh T. N.; Panel, Nicolas; Vo, Duc Duy; Thai, Bui San et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2025

• DOI for Structure-based discovery of positive allosteric modulators of the A₁ adenosine receptor
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Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability

Poongavanam, Vasanthanathan; Peintner, Stefan; Abeje, Yordanos; Kölling, Florian et al.

Part of ACS Medicinal Chemistry Letters, p. 681-687, 2025

• DOI for Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability
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A membrane permeability database for nonpeptidic macrocycles

Feng, Qiushi; De Chavez, Danjo; Kihlberg, Jan; Poongavanam, Vasanthanathan

Part of Scientific Data, 2025

• DOI for A membrane permeability database for nonpeptidic macrocycles
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Impact of Linker Composition on VHL PROTAC Cell Permeability

Abeje, Yordanos Esubalew; Wieske, Hermina H. E.; Poongavanam, Vasanthanathan; Maassen, Stefanie et al.

Part of Journal of Medicinal Chemistry, p. 638-657, 2024

• DOI for Impact of Linker Composition on VHL PROTAC Cell Permeability
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Beware of extreme calculated lipophilicity when designing cyclic peptides

Poongavanam, Vasanthanathan; Vo, Duc Duy; Kihlberg, Jan

Part of Nature Chemical Biology, p. 1242-1245, 2024

• DOI for Beware of extreme calculated lipophilicity when designing cyclic peptides

Discovery of a Series of Macrocycles as Potent Inhibitors of Leishmania Infantum

Riu, Federico; Ruppitsch, Larissa Alena; Vo, Duc Duy; Hong, Richard S. et al.

Part of Journal of Medicinal Chemistry, p. 18170-18193, 2024

• DOI for Discovery of a Series of Macrocycles as Potent Inhibitors of Leishmania Infantum
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Design of Drug Efficacy Guided by Free Energy Simulations of the β₂-Adrenoceptor

Panel, Nicolas; Vo, Duc Duy; Kahlous, Nour Aldin; Hübner, Harald et al.

Part of Angewandte Chemie International Edition, 2023

• DOI for Design of Drug Efficacy Guided by Free Energy Simulations of the β₂-Adrenoceptor
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Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

Ermondi, Giuseppe; Jimenez, Diego Garcia; Sebastiano, Matteo Rossi; Kihlberg, Jan et al.

Part of Pharmaceutics, 2023

• DOI for Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader
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Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis

Lönnblom, Erik; Leu Agelii, Monica; Sareila, Outi; Cheng, Lei et al.

Part of Arthritis & Rheumatology, p. 1110-1119, 2023

• DOI for Autoantibodies to Disease-Related Proteins in Joints as Novel Biomarkers for the Diagnosis of Rheumatoid Arthritis
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Therapy targeting antigen-specific T cells by a peptide-based tolerizing vaccine against autoimmune arthritis

Urbonaviciute, Vilma; Romero-Castillo, Laura; Xu, Bingze; Luo, Huqiao et al.

Part of Proceedings of the National Academy of Sciences of the United States of America, 2023

• DOI for Therapy targeting antigen-specific T cells by a peptide-based tolerizing vaccine against autoimmune arthritis

Antigen-presenting autoreactive B cells activate regulatory T cells and suppress autoimmune arthritis in mice

Aoun, Mike; Coelho, Ana; Kraemer, Alexander; Saxena, Amit et al.

Part of Journal of Experimental Medicine, 2023

• DOI for Antigen-presenting autoreactive B cells activate regulatory T cells and suppress autoimmune arthritis in mice

Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists

Matricon, Pierre; Nguyen, Anh T. N.; Vo, Duc Duy; Baltos, Jo-Anne et al.

Part of European Journal of Medicinal Chemistry, 2023

• DOI for Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists
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Macrocycles in Drug Discovery?Learning from the Past for the Future

Jiménez, Diego García; Poongavanam, Vasanthanathan; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 5377-5396, 2023

• DOI for Macrocycles in Drug Discovery?Learning from the Past for the Future
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Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds

Wieske, Lianne H. E.; Atilaw, Yoseph; Poongavanam, Vasanthanathan; Erdélyi, Máté et al.

Part of Chemistry - A European Journal, 2023

• DOI for Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds
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Predictive Modeling of PROTAC Cell Permeability with Machine Learning

Poongavanam, Vasanthanathan; Kölling, Florian; Giese, Anja; Göller, Andreas H. et al.

Part of ACS Omega, p. 5901-5916, 2023

• DOI for Predictive Modeling of PROTAC Cell Permeability with Machine Learning
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Simulation Reveals the Chameleonic Behavior of Macrocycles

Sethio, Daniel; Poongavanam, Vasanthanathan; Xiong, Ruisheng; Tyagi, Mohit et al.

Part of Journal of Chemical Information and Modeling, p. 138-146, 2023

• DOI for Simulation Reveals the Chameleonic Behavior of Macrocycles
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Linker-Dependent Folding Rationalizes PROTAC Cell Permeability

Poongavanam, Vasanthanathan; Atilaw, Yoseph; Siegel, Stephan; Giese, Anja et al.

Part of Journal of Medicinal Chemistry, p. 13029-13040, 2022

• DOI for Linker-Dependent Folding Rationalizes PROTAC Cell Permeability
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Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction

Begnini, Fabio; Geschwindner, Stefan; Johansson, Patrik; Wissler, Lisa et al.

Part of Journal of Medicinal Chemistry, p. 3473-3517, 2022

• DOI for Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction
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Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses

Luttens, Andreas; Gullberg, Hjalmar; Abdurakhmanov, Eldar; Vo, Duy Duc et al.

Part of Journal of the American Chemical Society, p. 2905-2920, 2022

• DOI for Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
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Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor

Ge, Changrong; Weisse, Sylvia; Xu, Bingze; Dobritzsch, Doreen et al.

Part of Annals of the Rheumatic Diseases, p. 480-489, 2022

• DOI for Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor
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PROTAC cell permeability and oral bioavailability: a journey into uncharted territory

Poongavanam, Vasanthanathan; Kihlberg, Jan

Part of Future Medicinal Chemistry, p. 123-126, 2022

• DOI for PROTAC cell permeability and oral bioavailability: a journey into uncharted territory

Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space

Caron, Giulia; Kihlberg, Jan; Goetz, Gilles; Ratkova, Ekaterina et al.

Part of ACS Medicinal Chemistry Letters, p. 13-23, 2021

• DOI for Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space

Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies

Begnini, Fabio; Poongavanam, Vasanthanathan; Atilaw, Yoseph; Erdélyi, Máté et al.

Part of ACS Medicinal Chemistry Letters, p. 983-990, 2021

• DOI for Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies
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Solution Conformations Shed Light on PROTAC Cell Permeability

Atilaw, Yoseph; Poongavanam, Vasanthanathan; Svensson Nilsson, Caroline; Nguyen, Duy et al.

Part of ACS Medicinal Chemistry Letters, p. 107-114, 2021

• DOI for Solution Conformations Shed Light on PROTAC Cell Permeability
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Mining Natural Products for Macrocycles to Drug Difficult Targets

Begnini, Fabio; Poongavanam, Vasanthanathan; Over, Bjorn; Castaldo, Marie et al.

Part of Journal of Medicinal Chemistry, p. 1054-1072, 2021

• DOI for Mining Natural Products for Macrocycles to Drug Difficult Targets
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Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology

Kampen, Stefanie; Vo, Duc Duy; Zhang, Xiaoqun; Panel, Nicolas et al.

Part of Angewandte Chemie International Edition, p. 18022-18030, 2021

• DOI for Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology
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Fragment-based design of selective GPCR ligands guided by free energy simulations

Matricon, Pierre; Vo, Duc Duy; Gao, Zhan-Guo; Kihlberg, Jan et al.

Part of Chemical Communications, p. 12305-12308, 2021

• DOI for Fragment-based design of selective GPCR ligands guided by free energy simulations
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Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution

Bogaerts, Jonathan; Atilaw, Yoseph; Peintner, Stefan; Aerts, Roy et al.

Part of RSC Advances, p. 4200-4208, 2021

• DOI for Employing complementary spectroscopies to study the conformations of an epimeric pair of side-chain stapled peptides in aqueous solution
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Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1

Yang, Jie; Talibov, Vladimir O; Peintner, Stefan; Rhee, Claire et al.

Part of ACS Omega, p. 3979-3995, 2020

• DOI for Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1
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Solubility prediction in the bRo5 chemical space: where are we right now?

Ermondi, Giuseppe; Poongavanam, Vasanthanathan; Vallaro, Maura; Kihlberg, Jan et al.

Part of ADMET and DMPK, p. 207-214, 2020

• DOI for Solubility prediction in the bRo5 chemical space: where are we right now?
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Docking Finds GPCR Ligands in Dark Chemical Matter

Ballante, Flavio; Rudling, Axel; Zeifman, Alexey; Luttens, Andreas et al.

Part of Journal of Medicinal Chemistry, p. 613-620, 2020

• DOI for Docking Finds GPCR Ligands in Dark Chemical Matter

Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs

Danelius, Emma; Poongavanam, Vasanthanathan; Peintner, Stefan; Wieske, Lianne H. E. et al.

Part of Chemistry - A European Journal, p. 5231-5244, 2020

• DOI for Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs

Predicting the permeability of macrocycles from conformational sampling – limitations of molecular flexibility

Poongavanam, Vasanthanathan; Atilaw, Yoseph; Ye, Sofie; Ermondi, Giuseppe et al.

Part of Journal of Pharmaceutical Sciences, p. 301-313, 2020

• DOI for Predicting the permeability of macrocycles from conformational sampling – limitations of molecular flexibility

Is GPR146 really the receptor for proinsulin C-peptide?

Lindfors, Lina; Sundström, Linda; Fröderberg Roth, Linda; Meuller, Johan et al.

Part of Bioorganic & Medicinal Chemistry Letters, 2020

• DOI for Is GPR146 really the receptor for proinsulin C-peptide?
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Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study

Peng, Cheng; Atilaw, Yoseph; Wang, Jinan; Xu, Zhijian et al.

Part of ACS Omega, p. 22245-22250, 2019

• DOI for Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study
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Metabolite aberrations in early diabetes detected in rat kidney using mass spectrometry imaging

Bergman, Hilde-Marlene; Lindfors, Lina; Palm, Fredrik; Kihlberg, Jan et al.

Part of Analytical and Bioanalytical Chemistry, p. 2809-2816, 2019

• DOI for Metabolite aberrations in early diabetes detected in rat kidney using mass spectrometry imaging
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Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di-, and Tri-Hydroxypentanones

Al-Smadi, Derar; Enugala, Thilak Reddy; Kessler, Vadim; Mhasal, Anil Rhanu et al.

Part of Journal of Organic Chemistry, p. 6982-6991, 2019

• DOI for Chemical and Biochemical Approaches for the Synthesis of Substituted Dihydroxybutanones and Di-, and Tri-Hydroxypentanones

Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?

Poongavanam, Vasanthanathan; Danelius, Emma; Peintner, Stefan; Alcaraz, Lilian et al.

Part of ACS Omega, p. 11742-11757, 2018

• DOI for Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?
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A Shared Epitope of Collagen Type XI and Type II Is Recognized by Pathogenic Antibodies in Mice and Human with Arthritis

Tong, Dongmei; Lönnblom, Erik; Yau, Anthony C. Y.; Nandakumar, Kutty Selva et al.

Part of Frontiers in Immunology, 2018

• DOI for A Shared Epitope of Collagen Type XI and Type II Is Recognized by Pathogenic Antibodies in Mice and Human with Arthritis
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Dynamics Determine Signaling in a Multicomponent System Associated with Rheumatoid Arthritis

Lindgren, Cecilia; Tyagi, Mohit; Viljanen, Johan V.; Toms, Johannes et al.

Part of Journal of Medicinal Chemistry, p. 4774-4790, 2018

• DOI for Dynamics Determine Signaling in a Multicomponent System Associated with Rheumatoid Arthritis

T cells specific for post-translational modifications escape intrathymic tolerance induction

Raposo, Bruno; Merky, Patrick; Lundqvist, Christina; Yamada, Hisakata et al.

Part of Nature Communications, 2018

• DOI for T cells specific for post-translational modifications escape intrathymic tolerance induction
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Toward the Design of Molecular Chameleons: Flexible Shielding of an Amide Bond Enhances Macrocycle Cell Permeability

Tyagi, Mohit; Poongavanam, Vasanthanathan; Lindhagen, Marika; Pettersen, Anna et al.

Part of Organic Letters, p. 5737-5742, 2018

• DOI for Toward the Design of Molecular Chameleons: Flexible Shielding of an Amide Bond Enhances Macrocycle Cell Permeability

Cyclophilin Succumbs to a Macrocyclic Chameleon

Doak, Bradley C.; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 9469-9472, 2018

• DOI for Cyclophilin Succumbs to a Macrocyclic Chameleon

Synthesis of substrates for aldolase-catalyzed reactions: A comparison of methods for the synthesis of substituted phenylacetaldehydes

Al-Smadi, Derar; Enugala, Thilak Reddy; Norberg, Thomas; Kihlberg, Jan et al.

Part of Synlett, p. 1187-1190, 2018

• DOI for Synthesis of substrates for aldolase-catalyzed reactions: A comparison of methods for the synthesis of substituted phenylacetaldehydes

Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design

Poongavanam, Vasanthanathan; Vigneshwaran, Namashivayam; Vanagamudi, Murugesan; Hadi Al, Shamaileh et al.

Part of WIREs Comput Mol Sci, 2018

• DOI for Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design

Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

Sebastiano, Matteo Rossi; Doak, Bradley C.; Backlund, Maria; Poongavanam, Vasanthanathan et al.

Part of Journal of Medicinal Chemistry, p. 4189-4202, 2018

• DOI for Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5

How Big Is Too Big for Cell Permeability?

Matsson, Pär; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 1662-1664, 2017

• DOI for How Big Is Too Big for Cell Permeability?

Reactive Oxygen Species Regulate Both Priming and Established Arthritis, but with Different Mechanisms

Sareila, Outi; Hagert, Cecilia; Kelkka, Tiina; Linja, Marjo et al.

Part of Antioxidants and Redox Signaling, p. 1473-1490, 2017

• DOI for Reactive Oxygen Species Regulate Both Priming and Established Arthritis, but with Different Mechanisms

Detection And Isolation Of Antigen Specific B Cells In Patients With Rheumatoid Arthritis

Nilsson, J.; Bergquist, M.; Onnheim, K.; Mårtensson, I-L et al.

Part of Annals of the Rheumatic Diseases, p. 779-779, 2017

• DOI for Detection And Isolation Of Antigen Specific B Cells In Patients With Rheumatoid Arthritis

Drug discovery beyond the rule of 5-Opportunities and challenges

Doak, Bradley C.; Kihlberg, Jan

Part of Expert Opinion on Drug Discovery, p. 115-119, 2017

• DOI for Drug discovery beyond the rule of 5-Opportunities and challenges

Cutting Edge: Processing of Oxidized Peptides in Macrophages Regulates T Cell Activation and Development of Autoimmune Arthritis

Yang, Min; Haase, Claus; Viljanen, Johan V.; Xu, Bingze et al.

Part of Journal of Immunology, p. 3937-3942, 2017

• DOI for Cutting Edge: Processing of Oxidized Peptides in Macrophages Regulates T Cell Activation and Development of Autoimmune Arthritis

Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage

Ge, Changrong P; Tong, Dongmei R; Liang, Bibo T; Lönnblom, Erik S et al.

Part of JCI INSIGHT, 2017

• DOI for Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage

Collagen epitope expression on B cells is sufficient to confer tolerance to collagen-induced arthritis

Andersson, Sofia E. M.; Eneljung, Tove; Tengvall, Sara; Jirholt, Pernilla et al.

Part of Arthritis Research & Therapy, 2016

• DOI for Collagen epitope expression on B cells is sufficient to confer tolerance to collagen-induced arthritis
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Gene Therapy Induces Antigen-Specific Tolerance in Experimental Collagen-Induced Arthritis

Tengvall, Sara; Eneljung, Tove; Jirholt, Pernilla; Turesson, Olof et al.

Part of PLOS ONE, 2016

• DOI for Gene Therapy Induces Antigen-Specific Tolerance in Experimental Collagen-Induced Arthritis
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Structural and conformational determinants of macrocycle cell permeability

Over, Bjorn; Matsson, Pär; Tyrchan, Christian; Artursson, Per et al.

Part of Nature Chemical Biology, p. 1065-+, 2016

• DOI for Structural and conformational determinants of macrocycle cell permeability

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets.

Doak, Bradley C; Zheng, Jie; Dobritzsch, Doreen; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 2312-2327, 2016

• DOI for How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets.

Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability

Andersson, Vincent; Bergström, Fredrik; Branalt, Jonas; Grönberg, Gunnar et al.

Part of Journal of Medicinal Chemistry, p. 6658-6670, 2016

• DOI for Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability

Mild Oxidative Cleavage of 9-BBN-Protected Amino Acid Derivatives

Ankner, Tobias; Norberg, Thomas; Kihlberg, Jan

Part of European Journal of Organic Chemistry, p. 3767-3770, 2015

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Hydroxyethylene isosteres introduced in type II collagen fragments substantially alter the structure and dynamics of class II MHC A(q)/glycopeptide complexes

Lindgren, Cecilia; Andersson, Ida E.; Berg, Lotta; Dobritzsch, Doreen et al.

Part of Organic and biomolecular chemistry, p. 6203-6216, 2015

• DOI for Hydroxyethylene isosteres introduced in type II collagen fragments substantially alter the structure and dynamics of class II MHC A(q)/glycopeptide complexes
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Macrocyclic drugs and clinical candidates - what are the limits of oral bioavailability?

Doak, Bradley; Over, Bjorn; Giordanetto, Fabrizio; Kihlberg, Jan

Part of Abstracts of Papers of the American Chemical Society, 2014

Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?

Giordanetto, Fabrizio; Kihlberg, Jan

Part of Journal of Medicinal Chemistry, p. 278-95, 2014

• DOI for Macrocyclic drugs and clinical candidates: what can medicinal chemists learn from their properties?

Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties

Over, Bjorn; McCarren, Patrick; Artursson, Per; Foley, Michael et al.

Part of Journal of Medicinal Chemistry, p. 2746-2754, 2014

• DOI for Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties

Molecular chameleons in drug discovery

Poongavanam, Vasanthanathan; Wieske, Lianne H. E.; Peintner, Stefan; Erdélyi, Máté et al.

Part of Nature Reviews Chemistry, p. 45-60, 2024

• DOI for Molecular chameleons in drug discovery

Exploring the chemical space of orally bioavailable PROTACs

Apprato, Giulia; Poongavanam, Vasanthanathan; Jimenez, Diego Garcia; Atilaw, Yoseph et al.

Part of Drug Discovery Today, 2024

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Enhancing preclinical drug discovery with artificial intelligence

Vijayan, R. S. K.; Kihlberg, Jan; Cross, Jason B.; Poongavanam, Vasanthanathan

Part of Drug Discovery Today, p. 967-984, 2022

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Drug Syntheses Beyond the Rule of 5

Tyagi, Mohit; Begnini, Fabio; Poongavanam, Vasanthanathan; Doak, Bradley C. et al.

Part of Chemistry - A European Journal, p. 49-88, 2020

• DOI for Drug Syntheses Beyond the Rule of 5

Intramolecular hydrogen bonding: An opportunity for improved design in medicinal chemistry

Caron, Giulia; Kihlberg, Jan; Ermondi, Giuseppe

Part of Medicinal research reviews (Print), p. 1707-1729, 2019

• DOI for Intramolecular hydrogen bonding: An opportunity for improved design in medicinal chemistry

Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space

Poongavanam, Vasanthanathan; Doak, Bradley Croy; Kihlberg, Jan

Part of Current Opinion in Chemical Biology, p. 23-29, 2018

• DOI for Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space

Cell permeability beyond the rule of 5

Matsson, Pär; Doak, Bradley C.; Over, Björn; Kihlberg, Jan

Part of Advanced Drug Delivery Reviews, p. 42-61, 2016

• DOI for Cell permeability beyond the rule of 5

Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Doak, Bradley Croy; Over, Bjorn; Giordanetto, Fabrizio; Kihlberg, Jan

Part of Chemistry and Biology, p. 1115-1142, 2014

• DOI for Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Conformational Analysis of Rifampicin in Solution

Wieske, Hermina; Danelius, Emma; Peintner, Stefan; Kihlberg, Jan et al.

2018

Conformational Analysis of Rifampicin in Solution.

Wieske, Hermina; Danelius, Emma; Peintner, Stefan; Kihlberg, Jan et al.

2018

The Solvent Polarity Dependence of Macrocycles’ Conformations

Peintner, Stefan; Danelius, Emma; Poongavanam, Vasanthanathan; Erdelyi, Mate et al.

2018

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Conformational Analysis of Rifampicin in Solution

Wieske, Hermina; Danelius, Emma; Peintner, Stefan; Kihlberg, Jan et al.

2018

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Tissue Specific Binding of Radiolabelled C-Peptide in Healthy and Diabetic Rats

Nensén, Oskar; Lindfors, Lina; Fasching, Angelica; Kihlberg, Jan et al.

Attempts to develop a cell-based assay for Diabetic Kidney Disease

Lindfors, Lina; Palm, Fredrik; Kihlberg, Jan