Kihlberg J - Search Results

1

Simulation Reveals the Chameleonic Behavior of Macrocycles.

Sethio D, Poongavanam V, Xiong R, Tyagi M, Duy Vo D, Lindh R, Kihlberg J. Sethio D, et al. Among authors: kihlberg j. J Chem Inf Model. 2023 Jan 9;63(1):138-146. doi: 10.1021/acs.jcim.2c01093. Epub 2022 Dec 23. J Chem Inf Model. 2023. PMID: 36563083 Free PMC article.

2

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

Rossi Sebastiano M, Doak BC, Backlund M, Poongavanam V, Over B, Ermondi G, Caron G, Matsson P, Kihlberg J. Rossi Sebastiano M, et al. Among authors: kihlberg j. J Med Chem. 2018 May 10;61(9):4189-4202. doi: 10.1021/acs.jmedchem.8b00347. Epub 2018 Apr 16. J Med Chem. 2018. PMID: 29608068 Free article.

3

Dynamics Determine Signaling in a Multicomponent System Associated with Rheumatoid Arthritis.

Lindgren C, Tyagi M, Viljanen J, Toms J, Ge C, Zhang N, Holmdahl R, Kihlberg J, Linusson A. Lindgren C, et al. Among authors: kihlberg j. J Med Chem. 2018 Jun 14;61(11):4774-4790. doi: 10.1021/acs.jmedchem.7b01880. Epub 2018 May 24. J Med Chem. 2018. PMID: 29727183

4

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

Poongavanam V, Doak BC, Kihlberg J. Poongavanam V, et al. Among authors: kihlberg j. Curr Opin Chem Biol. 2018 Jun;44:23-29. doi: 10.1016/j.cbpa.2018.05.010. Epub 2018 May 25. Curr Opin Chem Biol. 2018. PMID: 29803972 Review.

5

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

Tyagi M, Poongavanam V, Lindhagen M, Pettersen A, Sjö P, Schiesser S, Kihlberg J. Tyagi M, et al. Among authors: kihlberg j. Org Lett. 2018 Sep 21;20(18):5737-5742. doi: 10.1021/acs.orglett.8b02447. Epub 2018 Sep 12. Org Lett. 2018. PMID: 30207734

6

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

Poongavanam V, Danelius E, Peintner S, Alcaraz L, Caron G, Cummings MD, Wlodek S, Erdelyi M, Hawkins PCD, Ermondi G, Kihlberg J. Poongavanam V, et al. Among authors: kihlberg j. ACS Omega. 2018 Sep 30;3(9):11742-11757. doi: 10.1021/acsomega.8b01379. Epub 2018 Sep 24. ACS Omega. 2018. PMID: 30320271 Free PMC article.

7

Drug Syntheses Beyond the Rule of 5.

Tyagi M, Begnini F, Poongavanam V, Doak BC, Kihlberg J. Tyagi M, et al. Among authors: kihlberg j. Chemistry. 2020 Jan 2;26(1):49-88. doi: 10.1002/chem.201902716. Epub 2019 Oct 11. Chemistry. 2020. PMID: 31483909 Review.

8

Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study.

Peng C, Atilaw Y, Wang J, Xu Z, Poongavanam V, Shi J, Kihlberg J, Zhu W, Erdélyi M. Peng C, et al. Among authors: kihlberg j. ACS Omega. 2019 Dec 16;4(26):22245-22250. doi: 10.1021/acsomega.9b03797. eCollection 2019 Dec 24. ACS Omega. 2019. PMID: 31891108 Free PMC article.

9

Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs.

Danelius E, Poongavanam V, Peintner S, Wieske LHE, Erdélyi M, Kihlberg J. Danelius E, et al. Among authors: kihlberg j. Chemistry. 2020 Apr 21;26(23):5231-5244. doi: 10.1002/chem.201905599. Epub 2020 Apr 6. Chemistry. 2020. PMID: 32027758

10

Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.

Yang J, Talibov VO, Peintner S, Rhee C, Poongavanam V, Geitmann M, Sebastiano MR, Simon B, Hennig J, Dobritzsch D, Danielson UH, Kihlberg J. Yang J, et al. Among authors: kihlberg j. ACS Omega. 2020 Feb 17;5(8):3979-3995. doi: 10.1021/acsomega.9b03493. eCollection 2020 Mar 3. ACS Omega. 2020. PMID: 32149225 Free PMC article.

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