4. Schulz MN, Hubbard RE (2009) Recent progress in fragment-based lead discovery. Curr
Opin Pharmacol 9(5):615–621. https://doi.
org/10.1016/j.coph.2009.04.009
5. Hubbard RE, Murray JB (2011) Experiences
in fragment-based lead discovery. Methods
Enzymol 493:509–531. https://doi.org/10.
1016/B978-0-12-381274-2.00020-0
6. Davis BJ, Roughley SD (2017) Fragmentbased lead discovery. In: Goodnow RA
(ed) Annual reports in medicinal chemistry,
vol 50. Academic Press, Cambridge, pp
371–439. https://doi.org/10.1016/bs.armc.
2017.07.002
7. Chessari G, Woodhead AJ (2009) From fragment to clinical candidate--a historical perspective. Drug Discov Today 14(13–14):668–675.
https://doi.org/10.1016/j.drudis.2009.04.
007
8. Howard SP, Abell C (eds) (2015) Fragmentbased drug discovery. RSC Publishing,
London
9. Erlanson DA, Jahnke W (eds) (2015)
Fragment-based drug discovery : lessons and
outlook. Wiley-VCH, Weinheim
10. Czechtizky W, Hamley P (eds) (2015) Small
molecule medicinal chemistry : strategies and
technologies. John Wiley, New Jersey
11. Magee TV (2015) Progress in discovery of
small-molecule modulators of protein-protein
interactions via fragment screening. Bioorg
Med Chem Lett 25(12):2461–2468. https://
doi.org/10.1016/j.bmcl.2015.04.089
12. Bollag G, Tsai J, Zhang J, Zhang C, Ibrahim P,
Nolop K, Hirth P (2012) Vemurafenib: the
first drug approved for BRAF-mutant cancer.
Nat Rev Drug Discov 11(11):873–886.
https://doi.org/10.1038/nrd3847
13. Souers AJ, Leverson JD, Boghaert ER, Ackler
SL, Catron ND, Chen J, Dayton BD, Ding H,
Enschede SH, Fairbrother WJ, Huang DC,
Hymowitz SG, Jin S, Khaw SL, Kovar PJ,
Lam LT, Lee J, Maecker HL, Marsh KC,
Mason KD, Mitten MJ, Nimmer PM,
Oleksijew A, Park CH, Park CM, Phillips DC,
Roberts AW, Sampath D, Seymour JF, Smith
ML, Sullivan GM, Tahir SK, Tse C, Wendt
MD, Xiao Y, Xue JC, Zhang H, Humerickhouse RA, Rosenberg SH, Elmore SW (2013)
ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing
platelets. Nat Med 19(2):202–208. https://
doi.org/10.1038/nm.3048
14. Erlanson DA (2018) Fragments in the clinic:
2018th edition. Practical Fragments. http://
practicalfragments.blogspot.com/2018/10/
fragments-in-clinic-2018-edition.html
15. Davis BJ, Erlanson DA (2013) Learning from
our mistakes: the “unknown knowns” in fragment screening. Bioorg Med Chem Lett 23
(10):2844–2852. https://doi.org/10.1016/j.
bmcl.2013.03.028
16. Davis B (2013) Screening protein-small molecule interactions by NMR. Methods Mol Biol
1008:389–413.
https://doi.org/10.1007/
978-1-62703-398-5_14
17. Erlanson D (2016) Poll results: affiliation,
metrics, and fragment-finding methods. Practical Fragments. http://practicalfragments.
blogspot.com/2016/10/poll-results-affilia
tion-metrics-and.html
18. Aguirre C, Cala O, Krimm I (2015) Overview
of probing protein-ligand interactions using
NMR.
Curr
Protoc
Protein
Sci
81:17.18.11–17.18.24. https://doi.org/10.
1002/0471140864.ps1718s81
19. Fejzo J, Lepre C, Xie X (2003) Application of
NMR screening in drug discovery. Curr Top
Med Chem 3(1):81–97
20. Hajduk PJ, Meadows RP, Fesik SW (1999)
NMR-based screening in drug discovery. Q
Rev Biophys 32(3):211–240
21. Jordan JB, Poppe L, Xia X, Cheng AC, Sun Y,
Michelsen K, Eastwood H, Schnier PD,
Nixey T, Zhong W (2012) Fragment based
drug discovery: practical implementation
based on
19 F NMR spectroscopy. J Med
Chem 55(2):678–687. https://doi.org/10.
1021/jm201441k
22. Shuker SB, Hajduk PJ, Meadows RP, Fesik SW
(1996) Discovering high-affinity ligands for
proteins: SAR by NMR. Science 274
(5292):1531–1534
23. Chimenti MS, Bulfer SL, Neitz RJ, Renslo AR,
Jacobson MP, James TL, Arkin MR, Kelly MJ
(2015) A fragment-based ligand screen against
part of a large protein machine: the ND1
domains of the AAA+ ATPase p97/VCP. J
Biomol Screen 20(6):788–800. https://doi.
org/10.1177/1087057115570550
24. Wiesner S, Sprangers R (2015) Methyl groups
as NMR probes for biomolecular interactions.
Curr Opin Struct Biol 35:60–67. https://doi.
org/10.1016/j.sbi.2015.08.010
25. Mayer M, Meyer B (1999) Characterization of
ligand binding by saturation transfer difference
NMR spectroscopy. Angew Chem Int Ed 38
(12):1784–1788. https://doi.org/10.1002/(
SICI)1521-3773(19990614)38:12<1784::
AID-ANIE1784>3.0.CO;2-Q
26. Dalvit C, Fogliatto G, Stewart A, Veronesi M,
Stockman B (2001) WaterLOGSY as a method
for primary NMR screening: practical aspects
Fragment Screening by NMR
269
Opin Pharmacol 9(5):615–621. https://doi.
org/10.1016/j.coph.2009.04.009
5. Hubbard RE, Murray JB (2011) Experiences
in fragment-based lead discovery. Methods
Enzymol 493:509–531. https://doi.org/10.
1016/B978-0-12-381274-2.00020-0
6. Davis BJ, Roughley SD (2017) Fragmentbased lead discovery. In: Goodnow RA
(ed) Annual reports in medicinal chemistry,
vol 50. Academic Press, Cambridge, pp
371–439. https://doi.org/10.1016/bs.armc.
2017.07.002
7. Chessari G, Woodhead AJ (2009) From fragment to clinical candidate--a historical perspective. Drug Discov Today 14(13–14):668–675.
https://doi.org/10.1016/j.drudis.2009.04.
007
8. Howard SP, Abell C (eds) (2015) Fragmentbased drug discovery. RSC Publishing,
London
9. Erlanson DA, Jahnke W (eds) (2015)
Fragment-based drug discovery : lessons and
outlook. Wiley-VCH, Weinheim
10. Czechtizky W, Hamley P (eds) (2015) Small
molecule medicinal chemistry : strategies and
technologies. John Wiley, New Jersey
11. Magee TV (2015) Progress in discovery of
small-molecule modulators of protein-protein
interactions via fragment screening. Bioorg
Med Chem Lett 25(12):2461–2468. https://
doi.org/10.1016/j.bmcl.2015.04.089
12. Bollag G, Tsai J, Zhang J, Zhang C, Ibrahim P,
Nolop K, Hirth P (2012) Vemurafenib: the
first drug approved for BRAF-mutant cancer.
Nat Rev Drug Discov 11(11):873–886.
https://doi.org/10.1038/nrd3847
13. Souers AJ, Leverson JD, Boghaert ER, Ackler
SL, Catron ND, Chen J, Dayton BD, Ding H,
Enschede SH, Fairbrother WJ, Huang DC,
Hymowitz SG, Jin S, Khaw SL, Kovar PJ,
Lam LT, Lee J, Maecker HL, Marsh KC,
Mason KD, Mitten MJ, Nimmer PM,
Oleksijew A, Park CH, Park CM, Phillips DC,
Roberts AW, Sampath D, Seymour JF, Smith
ML, Sullivan GM, Tahir SK, Tse C, Wendt
MD, Xiao Y, Xue JC, Zhang H, Humerickhouse RA, Rosenberg SH, Elmore SW (2013)
ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing
platelets. Nat Med 19(2):202–208. https://
doi.org/10.1038/nm.3048
14. Erlanson DA (2018) Fragments in the clinic:
2018th edition. Practical Fragments. http://
practicalfragments.blogspot.com/2018/10/
fragments-in-clinic-2018-edition.html
15. Davis BJ, Erlanson DA (2013) Learning from
our mistakes: the “unknown knowns” in fragment screening. Bioorg Med Chem Lett 23
(10):2844–2852. https://doi.org/10.1016/j.
bmcl.2013.03.028
16. Davis B (2013) Screening protein-small molecule interactions by NMR. Methods Mol Biol
1008:389–413.
https://doi.org/10.1007/
978-1-62703-398-5_14
17. Erlanson D (2016) Poll results: affiliation,
metrics, and fragment-finding methods. Practical Fragments. http://practicalfragments.
blogspot.com/2016/10/poll-results-affilia
tion-metrics-and.html
18. Aguirre C, Cala O, Krimm I (2015) Overview
of probing protein-ligand interactions using
NMR.
Curr
Protoc
Protein
Sci
81:17.18.11–17.18.24. https://doi.org/10.
1002/0471140864.ps1718s81
19. Fejzo J, Lepre C, Xie X (2003) Application of
NMR screening in drug discovery. Curr Top
Med Chem 3(1):81–97
20. Hajduk PJ, Meadows RP, Fesik SW (1999)
NMR-based screening in drug discovery. Q
Rev Biophys 32(3):211–240
21. Jordan JB, Poppe L, Xia X, Cheng AC, Sun Y,
Michelsen K, Eastwood H, Schnier PD,
Nixey T, Zhong W (2012) Fragment based
drug discovery: practical implementation
based on
19 F NMR spectroscopy. J Med
Chem 55(2):678–687. https://doi.org/10.
1021/jm201441k
22. Shuker SB, Hajduk PJ, Meadows RP, Fesik SW
(1996) Discovering high-affinity ligands for
proteins: SAR by NMR. Science 274
(5292):1531–1534
23. Chimenti MS, Bulfer SL, Neitz RJ, Renslo AR,
Jacobson MP, James TL, Arkin MR, Kelly MJ
(2015) A fragment-based ligand screen against
part of a large protein machine: the ND1
domains of the AAA+ ATPase p97/VCP. J
Biomol Screen 20(6):788–800. https://doi.
org/10.1177/1087057115570550
24. Wiesner S, Sprangers R (2015) Methyl groups
as NMR probes for biomolecular interactions.
Curr Opin Struct Biol 35:60–67. https://doi.
org/10.1016/j.sbi.2015.08.010
25. Mayer M, Meyer B (1999) Characterization of
ligand binding by saturation transfer difference
NMR spectroscopy. Angew Chem Int Ed 38
(12):1784–1788. https://doi.org/10.1002/(
SICI)1521-3773(19990614)38:12<1784::
AID-ANIE1784>3.0.CO;2-Q
26. Dalvit C, Fogliatto G, Stewart A, Veronesi M,
Stockman B (2001) WaterLOGSY as a method
for primary NMR screening: practical aspects
Fragment Screening by NMR
269