Softley C - Search Results

1

Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery.

Solbak SMØ, Zang J, Narayanan D, Høj LJ, Bucciarelli S, Softley C, Meier S, Langkilde AE, Gotfredsen CH, Sattler M, Bach A. Solbak SMØ, et al. Among authors: softley c. J Med Chem. 2020 Feb 13;63(3):1156-1177. doi: 10.1021/acs.jmedchem.9b01492. Epub 2020 Jan 23. J Med Chem. 2020. PMID: 31922756

2

Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.

Napolitano V, Mróz P, Marciniak M, Kalel VC, Softley CA, Janna Olmos JD, Tippler BG, Schorpp K, Rioton S, Fröhlich T, Plettenburg O, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dawidowski M, Dubin G. Napolitano V, et al. Among authors: softley ca. Eur J Med Chem. 2022 Dec 5;243:114778. doi: 10.1016/j.ejmech.2022.114778. Epub 2022 Sep 27. Eur J Med Chem. 2022. PMID: 36194937 Free article.

3

Paramagnetic NMR in drug discovery.

Softley CA, Bostock MJ, Popowicz GM, Sattler M. Softley CA, et al. J Biomol NMR. 2020 Jul;74(6-7):287-309. doi: 10.1007/s10858-020-00322-0. Epub 2020 Jun 10. J Biomol NMR. 2020. PMID: 32524233 Free PMC article. Review.

4

Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma.

Napolitano V, Softley CA, Blat A, Kalel VC, Schorpp K, Siebenmorgen T, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dubin G. Napolitano V, et al. Among authors: softley ca. Sci Rep. 2022 Aug 29;12(1):14705. doi: 10.1038/s41598-022-18841-1. Sci Rep. 2022. PMID: 36038611 Free PMC article.

5

Introducing the CSP Analyzer: A novel Machine Learning-based application for automated analysis of two-dimensional NMR spectra in NMR fragment-based screening.

Fino R, Byrne R, Softley CA, Sattler M, Schneider G, Popowicz GM. Fino R, et al. Among authors: softley ca. Comput Struct Biotechnol J. 2020 Feb 28;18:603-611. doi: 10.1016/j.csbj.2020.02.015. eCollection 2020. Comput Struct Biotechnol J. 2020. PMID: 32257044 Free PMC article.

6

¹⁹F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA-Guanine Transglycosylase.

Nguyen A, Gemmecker G, Softley CA, Movsisyan LD, Pfaffeneder T, Heine A, Reuter K, Diederich F, Sattler M, Klebe G. Nguyen A, et al. Among authors: softley ca. ACS Chem Biol. 2022 Jul 15;17(7):1745-1755. doi: 10.1021/acschembio.2c00080. Epub 2022 Jun 28. ACS Chem Biol. 2022. PMID: 35763700

7

Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2,3,4,5-Tetrahydrobenzo[F][1,4]oxazepines as Potential New Trypanocidal Agents.

Fino R, Lenhart D, Kalel VC, Softley CA, Napolitano V, Byrne R, Schliebs W, Dawidowski M, Erdmann R, Sattler M, Schneider G, Plettenburg O, Popowicz GM. Fino R, et al. Among authors: softley ca. J Chem Inf Model. 2021 Oct 25;61(10):5256-5268. doi: 10.1021/acs.jcim.1c00472. Epub 2021 Oct 1. J Chem Inf Model. 2021. PMID: 34597510 Free article.

8

Correction for Softley et al., "Structure and Molecular Recognition Mechanism of IMP-13 Metallo-β-Lactamase".

Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, Mejdi-Nitiu R, Meyer H, Sattler M, Popowicz GM. Softley CA, et al. Antimicrob Agents Chemother. 2020 Jun 23;64(7):e01077-20. doi: 10.1128/AAC.01077-20. Print 2020 Jun 23. Antimicrob Agents Chemother. 2020. PMID: 32576598 Free PMC article. No abstract available.

9

The Photocatalyzed Thiol-ene reaction: A New Tag to Yield Fast, Selective and reversible Paramagnetic Tagging of Proteins.

Denis M, Softley C, Giuntini S, Gentili M, Ravera E, Parigi G, Fragai M, Popowicz G, Sattler M, Luchinat C, Cerofolini L, Nativi C. Denis M, et al. Among authors: softley c. Chemphyschem. 2020 May 5;21(9):863-869. doi: 10.1002/cphc.202000071. Epub 2020 Mar 19. Chemphyschem. 2020. PMID: 32092218 Free PMC article.

10

Structure and Molecular Recognition Mechanism of IMP-13 Metallo-β-Lactamase.

Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, Mejdi-Nitiu R, Meyer H, Sattler M, Popowicz GM. Softley CA, et al. Antimicrob Agents Chemother. 2020 May 21;64(6):e00123-20. doi: 10.1128/AAC.00123-20. Print 2020 May 21. Antimicrob Agents Chemother. 2020. PMID: 32205343 Free PMC article.

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