Bradley Doak

Dr

20092022

Research output per year

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Research Output

2019

A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor α agonists

Patil, R., Mohanty, B., Liu, B., Chandrashekaran, I. R., Headey, S. J., Williams, M. L., Clements, C. S., Ilyichova, O., Doak, B. C., Genissel, P., Weaver, R., Vuillard, L., Halls, M. L., Porter, C. J. H. & Scanlon, M. J., 8 Mar 2019, In : Journal of Biological Chemistry. 294, 10, p. 3720-3734 15 p.

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)
2018

Applications of NMR spectroscopy in FBDD

Bentley, M., Doak, B. C., Mohanty, B. & Scanlon, M. J., 13 Jun 2018, Modern Magnetic Resonance. Webb, G. A. (ed.). 2 ed. Cham Switzerland: Springer, p. 2211-2231 21 p.

Research output: Chapter in Book/Report/Conference proceedingChapter (Book)Otherpeer-review

Cyclophilin Succumbs to a Macrocyclic Chameleon

Doak, B. C. & Kihlberg, J., 8 Nov 2018, In : Journal of Medicinal Chemistry. 61, 21, p. 9469-9472 4 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Design of a Fragment-Screening Library

Taylor, A., Doak, B. C. & Scanlon, M. J., 1 Jan 2018, Methods in Enzymology. Pyle, A. M. & Christianson, D. W. (eds.). Cambridge MA USA: Elsevier, Vol. 610. p. 97-115 19 p. (Methods in Enzymology).

Research output: Chapter in Book/Report/Conference proceedingChapter (Book)Researchpeer-review

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

Rossi Sebastiano, M., Doak, B. C., Backlund, M., Poongavanam, V., Over, B., Ermondi, G., Caron, G., Matsson, P. & Kihlberg, J., 10 May 2018, In : Journal of Medicinal Chemistry. 61, 9, p. 4189-4202 14 p.

Research output: Contribution to journalArticleResearchpeer-review

31 Citations (Scopus)

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

Poongavanam, V., Doak, B. C. & Kihlberg, J., 1 Jun 2018, In : Current Opinion in Chemical Biology. 44, p. 23-29 7 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

12 Citations (Scopus)

Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens

Smith, R. P., Mohanty, B., Mowlaboccus, S., Paxman, J. J., Williams, M. L., Headey, S. J., Wang, G., Subedi, P., Doak, B. C., Kahler, C. M., Scanlon, M. J. & Heras, B., 1 Jan 2018, In : Journal of Biological Chemistry. 293, 43, p. 16559-16571 13 p.

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)
2017

Drug discovery beyond the rule of 5 - opportunities and challenges

Doak, B. C. & Kihlberg, J., 2017, In : Expert Opinion on Drug Discovery. 12, 2, p. 115-119 5 p.

Research output: Contribution to journalArticleResearchpeer-review

13 Citations (Scopus)
2016

Cell permeability beyond the rule of 5

Matsson, P., Doak, B. C., Over, B. & Kihlberg, J., 1 Jun 2016, In : Advanced Drug Delivery Reviews. 101, p. 42-61 20 p.

Research output: Contribution to journalArticleResearchpeer-review

64 Citations (Scopus)

Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data

Mohanty, B., Williams, M., Doak, B. C., Vazirani, M., Ilyichova, O., Wang, G., Bermel, W., Simpson, J. S., Chalmers, D. K., King, G. F., Mobli, M. & Scanlon, M. J., Nov 2016, In : Journal of Biomolecular NMR. 66, 3, p. 195-208 14 p.

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

How beyond rule of 5 drugs and clinical candidates bind to their targets

Doak, B. C., Zheng, J., Dobritzsch, D. & Kihlberg, J., 24 Mar 2016, In : Journal of Medicinal Chemistry. 59, 6, p. 2312-2327 16 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

108 Citations (Scopus)

Structural and conformational determinants of macrocycle cell permeability

Over, B., Matsson, P., Tyrchan, C., Artursson, P., Doak, B. C., Foley, M. A., Hilgendorf, C., Johnston, S. E., Lee IV, M. D., Lewis, R. J., McCarren, P., Muncipinto, G., Norinder, U., Perry, M. W. D., Duvall, J. R. & Kihlberg, J., Dec 2016, In : Nature Chemical Biology. 12, 12, p. 1065-1074 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File
59 Citations (Scopus)

The ways and means of fragment-based drug design

Doak, B. C., Norton, R. S. & Scanlon, M. J., 1 Nov 2016, In : Pharmacology and Therapeutics. 167, p. 28-37 10 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)
2015

Application of fragment-based screening to the design of inhibitors of Escherichia coli DsbA

Adams, L. A., Sharma, P., Mohanty, B., Ilyichova, O., Mulcair, M., Williams, M., Gleeson, E., Torsika, M., Doak, B. C., Dias de Gouveia Caria, S. M., Rimmer, K., Horne, H. J., Shouldice, S. R., Vazirani, M., Headey, S. J., Plumb, B. R., Martin, J., Heras, B., Simpson, J. S. & Scanlon, M., 2015, In : Angewandte Chemie - International Edition. 54, 7, p. 2179-2184 6 p.

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)
2014

Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates

Doak, B. C., Over, B., Giodanetto, F. & Kihlberg, J., 18 Sep 2014, In : Chemistry and Biology. 21, 9, p. 1115-1142 28 p.

Research output: Contribution to journalReview ArticleResearchpeer-review

Open Access
File
174 Citations (Scopus)
2013

Design and evaluation of the performance of an NMR screening fragment library

Doak, B. C., Morton, C. J., Simpson, J. S. & Scanlon, M., 2013, In : Australian Journal of Chemistry. 66, 12, p. 1465-1472 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File
23 Citations (Scopus)
2011

Synthesis of unsymmetrical 1,1 '-disubstituted Bis(1,2,3-triazole)s using monosilylbutadiynes

Doak, B., Scanlon, M. & Simpson, J., 2011, In : Organic Letters. 13, 3, p. 537 - 539 3 p.

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)
2009

Structure and function of the oxidoreductase DsbA1 from Neisseria meningitidis

Vivian, J., Scoullar, J., Rimmer, K., Bushell, S. R., Beddoe, T. C., Wilce, M. C. J., Byres, E., Boyle, T. P., Doak, B. C., Simpson, J. S., Graham, B., Heras, B., Kahler, C. M., Rossjohn, J. & Scanlon, M., 2009, In : Journal of Molecular Biology. 394, 5, p. 931 - 943 13 p.

Research output: Contribution to journalArticleResearchpeer-review

25 Citations (Scopus)