Privileged scaffolds for library design and drug discovery

The evolving role of natural products in drug discovery

Koehn, F. E., & Carter, G. T. (2005) · Nature Reviews Drug Discovery · doi:10.1038/nrd1657 · Cited by 2,579

Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery

Schreiber, S. L. (2000) · Science · doi:10.1126/science.287.5460.1964 · Cited by 2,571

Drugs for bad bugs: confronting the challenges of antibacterial discovery

Payne, D. J., Gwynn, M. N., Holmes, D. J., & Pompliano, D. L. (2007) · Nature Reviews Drug Discovery · doi:10.1038/nrd2201 · Cited by 2,512

A Planning Strategy for Diversity‐Oriented Synthesis

Burke, M. D., & Schreiber, S. L. (2003) · Angewandte Chemie International Edition · doi:10.1002/anie.200300626 · Cited by 1,493

Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists

Evans, B., Rittle, K. E., Bock, M. G., DiPardo, R. M., Freidinger, R. M., Whitter, W. L., Lundell, G. F., Veber, D. F., Anderson, P., Chang, R. S. L., et al. (1988) · Journal of Medicinal Chemistry · doi:10.1021/jm00120a002 · Cited by 1,460

Exploiting Chemical Libraries, Structure, and Genomics in the Search for Kinase Inhibitors

Gray, N. S., Wodicka, L. M., Thunnissen, A. M. W. H., Norman, T., Kwon, S., Espinoza, F. H., Morgan, D. O., Barnes, G., Leclerc, S., Meijer, L., et al. (1998) · Science · doi:10.1126/science.281.5376.533 · Cited by 808

From Nature to Drug Discovery: The Indole Scaffold as a ‘Privileged Structure’

Alves, F. R. S., Barreiro, E. J., & Fraga, C. A. M. (2009) · Mini-Reviews in Medicinal Chemistry · doi:10.2174/138955709788452649 · Cited by 606

Diversity-oriented synthesis: Exploring the intersections between chemistry and biology

Tan, D. S. (2005) · Nature Chemical Biology · doi:10.1038/nchembio0705-74 · Cited by 605

Privileged Structures: Applications in Drug Discovery

DeSimone, R., Currie, K., Mitchell, S. A., Darrow, J. W., & Pippin, D. A. (2004) · Combinatorial Chemistry & High Throughput Screening · doi:10.2174/1386207043328544 · Cited by 579

Towards the Optimal Screening Collection: A Synthesis Strategy

Nielsen, T. E., & Schreiber, S. L. (2007) · Angewandte Chemie International Edition · doi:10.1002/anie.200703073 · Cited by 553

Exploring biology with small organic molecules

Stockwell, B. R. (2004) · Nature · doi:10.1038/nature03196 · Cited by 473

Chemical genetics: ligand-based discovery of gene function

Stockwell, B. R. (2000) · Nature Reviews Genetics · doi:10.1038/35038557 · Cited by 418

Bacterial symbionts: prospects for the sustainable production of invertebrate-derived pharmaceuticals.

Costantino, L., & Barlocco, D. (2006) · PubMed · Cited by 411

Privileged Molecules for Protein Binding Identified from NMR-Based Screening

Hajduk, P. J., Bures, M. G., Praestgaard, J., & Fesik, S. W. (2000) · Journal of Medicinal Chemistry · doi:10.1021/jm000164q · Cited by 353

Privileged Structures as Leads in Medicinal Chemistry

Costantino, L., & Barlocco, D. (2005) · Current Medicinal Chemistry · doi:10.2174/092986706775197999 · Cited by 330

Privileged Structures: A Useful Concept for the Rational Design of New Lead Drug Candidates

Duarte, C. D., Barreiro, E. J., & Fraga, C. A. M. (2007) · Mini-Reviews in Medicinal Chemistry · doi:10.2174/138955707782331722 · Cited by 309

Scaffold Architecture and Pharmacophoric Properties of Natural Products and Trade Drugs: Application in the Design of Natural Product-Based Combinatorial Libraries

Lee, M., & Schneider, G. (2001) · Journal of Combinatorial Chemistry · doi:10.1021/cc000097l · Cited by 291

The Chemodiversity of Purine as a Constituent of Natural Products

Rosemeyer, H. (2004) · Chemistry & Biodiversity · doi:10.1002/cbdv.200490033 · Cited by 285

Rhodanine as a Privileged Scaffold in Drug Discovery

Tomašič, T., & Masic, L. (2009) · Current Medicinal Chemistry · doi:10.2174/092986709788186200 · Cited by 277

Natural Product-like Combinatorial Libraries Based on Privileged Structures. 2. Construction of a 10 000-Membered Benzopyran Library by Directed Split-and-Pool Chemistry Using NanoKans and Optical Encoding

Nicolaou, K. C., Pfefferkorn, J. A., Mitchell, H. J., Roecker, A. J., Barluenga, S., Cao, G., Affleck, R. L., & Lillig, J. (2000) · Journal of the American Chemical Society · doi:10.1021/ja002034c · Cited by 270

Synthesis and application of functionally diverse 2,6,9-trisubstituted purine libraries as CDK inhibitors

Chang, Y., Gray, N. S., Rosania, G. R., Sutherlin, D. P., Kwon, S., Norman, T., Sarohia, R., Leost, M., Meijer, L., & Schultz, P. G. (1999) · Chemistry & Biology · doi:10.1016/s1074-5521(99)80048-9 · Cited by 269

The combinatorial synthesis and chemical and biological evaluation of a 1,4-benzodiazepine library.

Bunin, B. A., Plunkett, M. J., & Ellman, J. A. (1994) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.91.11.4708 · Cited by 260

Identification of a Novel Small-Molecule Inhibitor of the Hypoxia-Inducible Factor 1 Pathway

Tan, C., de Noronha, R. G., Roecker, A. J., Pyrzyńska, B., Khwaja, F. W., Zhang, Z., Zhang, H., Teng, Q., Nicholson, A. C., Giannakakou, P., et al. (2005) · Cancer Research · doi:10.1158/0008-5472.605.65.2 · Cited by 226

Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound libraries

Cordier, C., Morton, D., Murrison, S., Nelson, A. S., & O'Leary-Steele, C. (2008) · Natural Product Reports · doi:10.1039/b706296f · Cited by 215

Medicinal chemistry of target family-directed masterkeys

Müller, G. (2003) · Drug Discovery Today · doi:10.1016/s1359-6446(03)02781-8 · Cited by 209

Libraries from natural product-like scaffolds

Boldi, A. M. (2004) · Current Opinion in Chemical Biology · doi:10.1016/j.cbpa.2004.04.010 · Cited by 194

Structural Simplification of Bioactive Natural Products with Multicomponent Synthesis. 2. Antiproliferative and Antitubulin Activities of Pyrano[3,2-c]pyridones and Pyrano[3,2-c]quinolones

Magedov, I. V., Manpadi, M., Ogasawara, M. A., Dhawan, A. S., Rogelj, S., slambrouck, S. V., Steelant, W. F. A., Evdokimov, N. M., Uglinskii, P. Y., Elias, E. M., et al. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm701499n · Cited by 173

Et 2 SBr⋅SbCl 5 Br: An Effective Reagent for Direct Bromonium‐Induced Polyene Cyclizations

Snyder, S. A., & Treitler, D. S. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200903834 · Cited by 164

2-Arylbenzothiazole as a Privileged Scaffold in Drug Discovery

Weekes, A. A., & Westwell, A. D. (2009) · Current Medicinal Chemistry · doi:10.2174/092986709788682137 · Cited by 151

Design, synthesis and cruzain docking of 3-(4-substituted-aryl)-1,2,4-oxadiazole-N-acylhydrazones as anti-Trypanosoma cruzi agents

Filho, J. M. D. S., Leite, A. C. L., Oliveira, B. G. D., Moreira, D. R. M., Lima, M. S., Soares, M. B. P., & Leite, L. F. C. C. (2009) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2009.07.068 · Cited by 100

Protein β-turn mimetics I. Design, synthesis, and evaluation in model cyclic peptides.

Ripka, W. C., Lucca, G. V. D., Bach, A., Pottorf, R. S., & Blaney, J. M. (1993) · Tetrahedron · doi:10.1016/s0040-4020(01)90217-0 · Cited by 98

Natural Compounds: Leads or Ideas? Bioinspired Molecules for Drug Discovery

Beghyn, T. B., Deprez-Poulain, R. F., Willand, N., Folléas, B., & Deprez, B. P. (2008) · Chemical Biology & Drug Design · doi:10.1111/j.1747-0285.2008.00673.x · Cited by 95

Fischer indole synthesis on a solid support

Hutchins, S. M., & Chapman, K. T. (1996) · Tetrahedron Letters · doi:10.1016/0040-4039(96)00997-5 · Cited by 90

Diversity-Oriented Synthesis of Privileged Benzopyranyl Heterocycles from s-cis-Enones

An, H., Eum, S., Koh, M., Lee, S. K., & Park, S. B. (2008) · The Journal of Organic Chemistry · doi:10.1021/jo702196f · Cited by 76

Discovery of Estrogen Sulfotransferase Inhibitors from a Purine Library Screen

Verdugo, D. E., Cancilla, M. T., Ge, X., Gray, N. S., Chang, Y., Schultz, P. G., Negishi, M., Leary, J. A., & Bertozzi, C. R. (2001) · Journal of Medicinal Chemistry · doi:10.1021/jm010171u · Cited by 74

The principle of complementarity: chemical versus biological space

Haggarty, S. J. (2005) · Current Opinion in Chemical Biology · doi:10.1016/j.cbpa.2005.04.006 · Cited by 72

Combinatorial Chemistry with Laser Optical Encoding

Xiao, X., Zhao, C., Potash, H., & Nova, M. P. (1997) · Angewandte Chemie International Edition in English · doi:10.1002/anie.199707801 · Cited by 58

2-Aryl indole NK1 receptor antagonists: optimisation of the 2-Aryl ring and the indole nitrogen substituent

Dinnell, K., Chicchi, G. G., Dhar, M. J., Elliott, J. M., Hollingworth, G. J., Kurtz, M. M., Ridgill, M. P., Rycroft, W., Tsao, K.-L. C., Williams, A. R., et al. (2001) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/s0960-894x(01)00183-4 · Cited by 58

Combinatorial synthesis of 3-(Amidoalkyl) and 3-(Aminoalkyl)-2-arylindole derivatives: discovery of potent ligands for a variety of G-protein coupled receptors

Willoughby, C. A., Hutchins, S. M., Rosauer, K. G., Dhar, M. J., Chapman, K. T., Chicchi, G. G., Sadowski, S. J., Weinberg, D. H., Patel, S. S., Malkowitz, L., et al. (2002) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/s0960-894x(01)00665-5 · Cited by 44

Systematic Analysis of Public Domain Compound Potency Data Identifies Selective Molecular Scaffolds across Druggable Target Families

Hu, Y., Wassermann, A. M., Lounkine, E., & Bajorath, J. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm9014229 · Cited by 41

Chemical Proteomics-Based Drug Design: Target and Antitarget Fishing with a Catechol−Rhodanine Privileged Scaffold for NAD(P)(H) Binding Proteins

Ge, X., Wakim, B. T., & Sem, D. S. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm8002284 · Cited by 36

Synthesis and Stereochemical Structure−Activity Relationships of 1,3-Dioxoperhydropyrido[1,2-c]pyrimidine Derivatives: Potent and Selective Cholecystokinin-A Receptor Antagonists

Martín‐Martinez, M., Bartolomé-Nebreda, J. M., Gomez-Monterrey, I. M., González‐Muñiz, R., García‐López, M. T., Ballaz, S., Barber, A., Fortuño, A., Río, J. D., & Herranz, R. (1997) · Journal of Medicinal Chemistry · doi:10.1021/jm9703247 · Cited by 36

The proapoptotic benzodiazepine Bz-423 affects the growth and survival of malignant B cells.

Boitano, A. E., Ellman, J. A., Glick, G. D., & Opipari, A. W. (2003) · PubMed · Cited by 32

Discovery of Indoline-Based, Natural-Product-like Compounds as Probes of Focal Adhesion Kinase Signaling Pathways

Poondra, R. R., Kumar, N., Bijian, K., Prakesch, M. A., Campágna‐Slater, V., Reayi, A., Reddy, P. T., Choudhry, A., Barnes, M. L., Leek, D. M., et al. (2009) · Journal of Combinatorial Chemistry · doi:10.1021/cc8001525 · Cited by 21

Combinatorial Library Synthesis and Biological Evaluation of Pyrazolo[4,3‐e][1,4]diazepine as a Potential Privileged Structure

Lee, J., & Kim, Y. (2009) · ChemMedChem · doi:10.1002/cmdc.200800453 · Cited by 16

Lasercodierung in der kombinatorischen Chemie

Xiao, X., Zhao, C., Potash, H., & Nova, M. P. (1997) · Angewandte Chemie · doi:10.1002/ange.19971090729 · Cited by 8

ChemInform Abstract: 2‐Aryl Indole NK1 Receptor Antagonists: Optimization of the 2‐Aryl Ring and the Indole Nitrogen Substituent.

Dinnell, K., & al., E. A. E. (2001) · ChemInform · doi:10.1002/chin.200133127 · Cited by 3

Untitled work

(2002) · doi:10.1002/1521-3773(20020816)41:16

Pharmacological inhibition of cystine-glutamate exchange induces endoplasmic reticulum stress and ferroptosis

Dixon, S. J., Patel, D. N., Welsch, M., Skouta, R., Lee, E. D., Hayano, M., Thomas, A. G., Gleason, C. E., Tatonetti, N. P., Slusher, B. S., et al. (2014) · eLife · doi:10.7554/elife.02523 · Cited by 2,088

Click Chemistry for Drug Development and Diverse Chemical–Biology Applications

Prakasam, T., Matosiuk, D., & Jóźwiak, K. (2013) · Chemical Reviews · doi:10.1021/cr200409f · Cited by 1,933

Chalcone: A Privileged Structure in Medicinal Chemistry

Zhuang, C., Zhang, W., Sheng, C., Zhang, W., Xing, C., & Miao, Z. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00020 · Cited by 1,538

Deep reinforcement learning for de novo drug design

Popova, M., Isayev, O., & Tropsha, A. (2018) · Science Advances · doi:10.1126/sciadv.aap7885 · Cited by 1,433

Single-electron transmetalation in organoboron cross-coupling by photoredox/nickel dual catalysis

Tellis, J. C., Primer, D. N., & Molander, G. A. (2014) · Science · doi:10.1126/science.1253647 · Cited by 1,295

Privileged heterocyclic scaffolds in chemical biology and drug discovery: synthesis and bioactivity

Altomare, C. (2017) · Chemistry of Heterocyclic Compounds · doi:10.1007/s10593-017-2046-4 · Cited by 8

Privileged Structures Revisited

Schneider, P., & Schneider, G. (2017) · Angewandte Chemie International Edition · doi:10.1002/anie.201702816 · Cited by 127

Privileged Structures and Motifs (Synthetic and Natural Scaffolds)

Jones, A. M. (2016) · Elsevier eBooks · doi:10.1016/b978-0-12-409547-2.12316-9 · Cited by 4

Privileged Structures: Applications in Drug Discovery

DeSimone, R., Currie, K., Mitchell, S. A., Darrow, J. W., & Pippin, D. A. (2004) · Combinatorial Chemistry & High Throughput Screening · doi:10.2174/1386207043328544 · Cited by 579

Scaffold composition and biological relevance of screening libraries

Shelat, A. A., & Guy, R. K. (2007) · Nature Chemical Biology · doi:10.1038/nchembio0807-442 · Cited by 170