139. Meiby E, Simmonite H, le Strat L, Davis B, Matassova N, Moore JD, Mrosek M, Murray J,
Hubbard RE, Ohlson S (2013) Fragment screening by weak affinity chromatography:
comparison with established techniques for screening against HSP90. Anal Chem 85
(14):6756–6766
140. Pollack SJ, Beyer KS, Lock C, Müller I, Sheppard D, Lipkin M, Hardick D, Blurton P,
Leonard PM, Hubbard PA, Todd D, Richardson CM, Ahrens T, Baader M, Hafenbradl DO,
Hilyard K, Bürli RW (2011) A comparative study of fragment screening methods on the
p38a kinase: new methods, new insights. J Comput Aided Mol Des 25(7):677–687
141. FDA FY 2011 Innovative Drug Approvals; 2011
142. Erlanson DA (2011) Introduction to fragment-based drug discovery. In: Fragment-based
drug discovery and X-ray crystallography. Springer, Berlin, pp 1–32
143. Dror O, Shulman-Peleg A, Nussinov R, Wolfson HJ (2004) Predicting molecular
interactions in silico: I. A guide to pharmacophore identification and its applications to
drug design. Curr Med Chem 11(1):71–90
144. Guner OF (2002) History and evolution of the pharmacophore concept in computer-aided
drug design. Curr Top Med Chem 2(12):1321–1332
145. Mason JS, Good AC, Martin EJ (2001) 3-D pharmacophores in drug discovery. Curr Pharm
Des 7(7):567–597
146. Gund P (1977) Three-dimensional pharmacophoric pattern searching. Prog Mol Subcell Biol
5:117
147. Poptodorov K, Luu T, Hoffmann RD (2006) Pharmacophore model generation software
tools. Methods Princ Med Chem 32:17
148. Wolber G, Seidel T, Bendix F, Langer T (2008) Molecule-pharmacophore superpositioning
and pattern matching in computational drug design. Drug Discov Today 13(1):23–29
149. Potemkin V, Grishina M (2008) Principles for 3D/4D QSAR classification of drugs. Drug
Discov Today 13(21):952–959
150. Fosgerau K, Hoffmann T (2015) Peptide therapeutics: current status and future directions.
Drug Discov Today 20(1):122–128
151. Montanya E (2012) A comparison of currently available GLP-1 receptor agonists for the
treatment of type 2 diabetes. Expert Opin Pharmacother 13(10):1451–1467
152. Heitz A, Avrutina O, Le-Nguyen D, Diederichsen U, Hernandez JF, Gracy J, Kolmar H,
Chiche L (2008) Knottin cyclization: impact on structure and dynamics. BMC Struct Biol 8
(1):54
153. Gracy J, Le-Nguyen D, Gelly JC, Kaas Q, Heitz A, Chiche L (2007) KNOTTIN: the knottin
or inhibitor cystine knot scaffold in 2007. Nucleic Acids Res 36(suppl_1):D314–D319
154. Gould A, Ji Y, Aboye TL, Camarero JA (2011) Cyclotides, a novel ultrastable polypeptide
scaffold for drug discovery. Curr Pharm Des 17(38):4294–4307
155. Chan LY, Gunasekera S, Henriques ST, Worth NF, Le SJ, Clark RJ, Campbell JH, Craik DJ,
Daly NL (2011) Engineering pro-angiogenic peptides using stable, disulfide-rich cyclic
scaffolds. Blood 118(25):6709–6717
156. Terlau H, Olivera BM (2004) Conus venoms: a rich source of novel ion channel-targeted
peptides. Physiol Rev 84(1):41–68
157. Adams DJ, Alewood PF, Craik DJ, Drinkwater RD, Lewis RJ (1999) Conotoxins and their
potential pharmaceutical applications. Drug Dev Res 46(3–4 Special Issue: Biotechnology
and Pharmacology in Australia):219–234
158. Novac N (2013) Challenges and opportunities of drug repositioning. Trends Pharmacol Sci
34(5):267–272
159. Combes RD (2011) Challenges for computational structure–activity modelling for predicting
chemical toxicity: future improvements? Expert Opi Drug Metabolism Toxicol 7(9):1129–
1140
160. Cavalla D (2013) Predictive methods in drug repurposing: gold mine or just a bigger
haystack? Drug Discov Today 18(11):523–532
161. Kuhn M, Campillos M, González P, Jensen LJ, Bork P (2008) Large-scale prediction of
drug–target relationships. FEBS Lett 582(8):1283–1290
302
D. Velmurugan et al.
Hubbard RE, Ohlson S (2013) Fragment screening by weak affinity chromatography:
comparison with established techniques for screening against HSP90. Anal Chem 85
(14):6756–6766
140. Pollack SJ, Beyer KS, Lock C, Müller I, Sheppard D, Lipkin M, Hardick D, Blurton P,
Leonard PM, Hubbard PA, Todd D, Richardson CM, Ahrens T, Baader M, Hafenbradl DO,
Hilyard K, Bürli RW (2011) A comparative study of fragment screening methods on the
p38a kinase: new methods, new insights. J Comput Aided Mol Des 25(7):677–687
141. FDA FY 2011 Innovative Drug Approvals; 2011
142. Erlanson DA (2011) Introduction to fragment-based drug discovery. In: Fragment-based
drug discovery and X-ray crystallography. Springer, Berlin, pp 1–32
143. Dror O, Shulman-Peleg A, Nussinov R, Wolfson HJ (2004) Predicting molecular
interactions in silico: I. A guide to pharmacophore identification and its applications to
drug design. Curr Med Chem 11(1):71–90
144. Guner OF (2002) History and evolution of the pharmacophore concept in computer-aided
drug design. Curr Top Med Chem 2(12):1321–1332
145. Mason JS, Good AC, Martin EJ (2001) 3-D pharmacophores in drug discovery. Curr Pharm
Des 7(7):567–597
146. Gund P (1977) Three-dimensional pharmacophoric pattern searching. Prog Mol Subcell Biol
5:117
147. Poptodorov K, Luu T, Hoffmann RD (2006) Pharmacophore model generation software
tools. Methods Princ Med Chem 32:17
148. Wolber G, Seidel T, Bendix F, Langer T (2008) Molecule-pharmacophore superpositioning
and pattern matching in computational drug design. Drug Discov Today 13(1):23–29
149. Potemkin V, Grishina M (2008) Principles for 3D/4D QSAR classification of drugs. Drug
Discov Today 13(21):952–959
150. Fosgerau K, Hoffmann T (2015) Peptide therapeutics: current status and future directions.
Drug Discov Today 20(1):122–128
151. Montanya E (2012) A comparison of currently available GLP-1 receptor agonists for the
treatment of type 2 diabetes. Expert Opin Pharmacother 13(10):1451–1467
152. Heitz A, Avrutina O, Le-Nguyen D, Diederichsen U, Hernandez JF, Gracy J, Kolmar H,
Chiche L (2008) Knottin cyclization: impact on structure and dynamics. BMC Struct Biol 8
(1):54
153. Gracy J, Le-Nguyen D, Gelly JC, Kaas Q, Heitz A, Chiche L (2007) KNOTTIN: the knottin
or inhibitor cystine knot scaffold in 2007. Nucleic Acids Res 36(suppl_1):D314–D319
154. Gould A, Ji Y, Aboye TL, Camarero JA (2011) Cyclotides, a novel ultrastable polypeptide
scaffold for drug discovery. Curr Pharm Des 17(38):4294–4307
155. Chan LY, Gunasekera S, Henriques ST, Worth NF, Le SJ, Clark RJ, Campbell JH, Craik DJ,
Daly NL (2011) Engineering pro-angiogenic peptides using stable, disulfide-rich cyclic
scaffolds. Blood 118(25):6709–6717
156. Terlau H, Olivera BM (2004) Conus venoms: a rich source of novel ion channel-targeted
peptides. Physiol Rev 84(1):41–68
157. Adams DJ, Alewood PF, Craik DJ, Drinkwater RD, Lewis RJ (1999) Conotoxins and their
potential pharmaceutical applications. Drug Dev Res 46(3–4 Special Issue: Biotechnology
and Pharmacology in Australia):219–234
158. Novac N (2013) Challenges and opportunities of drug repositioning. Trends Pharmacol Sci
34(5):267–272
159. Combes RD (2011) Challenges for computational structure–activity modelling for predicting
chemical toxicity: future improvements? Expert Opi Drug Metabolism Toxicol 7(9):1129–
1140
160. Cavalla D (2013) Predictive methods in drug repurposing: gold mine or just a bigger
haystack? Drug Discov Today 18(11):523–532
161. Kuhn M, Campillos M, González P, Jensen LJ, Bork P (2008) Large-scale prediction of
drug–target relationships. FEBS Lett 582(8):1283–1290
302
D. Velmurugan et al.