Purifying the masses: Integrating prepurification quality control, high-throughput LC/MS purification, and compound plating to feed high-throughput screening

Journal of Combinatorial Chemistry

Volumn 7, Issue 2, 2005, Pages 210-217

  Isbell, John J ^a   Zhou, Yingyao ^a   Guintu, Christina ^a   Rynd, Matthew ^a   Jiang, Shumei ^a   Petrov, Dimitri ^a   Micklash, Ken ^a   Mainquist, Jim ^a   Ek, Jared ^a   Chang, Jim ^a   Weselak, Mark ^a   Backes, Bradley J ^b   Brailsford, Andrew ^c   Shave, Darcy ^c  

^a GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION   (United States)

^b ABBOTT LABORATORIES   (United States)

^c WATERS CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SOLVENT;

ANALYTIC METHOD; ARTICLE; AUTOMATION; DATA ANALYSIS; HIGH THROUGHPUT SCREENING; INSTRUMENTATION; LIQUID CHROMATOGRAPHY; MASS SPECTROMETER; PURIFICATION; QUALITY CONTROL; SCREENING; STATISTICAL MODEL;

AUTOANALYSIS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; COMBINATORIAL CHEMISTRY TECHNIQUES; INDICATORS AND REAGENTS; MASS SPECTROMETRY; PHARMACEUTICAL PREPARATIONS; QUALITY CONTROL; ROBOTICS;

EID: 20244379289     PISSN: 15204766     EISSN: None     Source Type: Journal    
DOI: 10.1021/cc049892f     Document Type: Article

References (42)

1. Caldwell, J. Cellular Vehicles for Target and Drug Delivery. Drug Discovery Technology 2003, Boston, MA, Aug 10-15, 2003.
2. Battersby, B. J.; Trau, M. Trends Biotechnol. 2002, 4, 167-173.
3. Zhang, J.-H.; Chung, D. Y.; Oldenburg, K. R. J. Comb. Chem. 2000, 2, 258-265.
4. Rishton, G. M. DDT 1997, 2, 382-384.
5. Rishton, G. M. DDT 2003, 8, 86-96
6. Muegge, I. Med. Res. Rev. 2003, 23, 302-321.
7. Walters, W. P.; Murco, M. A. Adv. Drug Delivery Rev. 2002, 54, 255-271.
8. Salmon, S. E.; Liu-Stevens, R. H.; Zhao, Y.; Lebl, M.; Krchnak, V.; Wertman, K.; Sepetov, N.; Lam, K. S. Mol. Diversity 1996, 2, 57-63.
9. Yurek, D. A.; Branch, D. L.; Kuo, M.-S. J. Comb. Chem. 2002, 4, 138-148.
10. Wang, T.; Zeng, L.; Cohen, J.; Kassel, D. B. Comb. Chem. High Throughput Screening 1999, 2, 327-334.
11. Fang, L.; Cournoyer, J.; Demee, M.; Zhao, J.; Tokushige, D.; Yan, B. Rapid Commun. Mass Spectrom. 2002, 16, 1440-1447.
12. Cremin, P. A.; Zeng, L. Anal. Chem. 2002, 74, 5492-5500.
13. Nikolaev, V.; Issakova, O.; Wade, S.; Sepetov, N. Automatic LC/MS Analysis of Combinatorial Libraries - A Rational Approach. Proceedings of the 45th ASMS Conference on Mass Spectrometry and Allied Topics, Palm Springs, CA, June 1-5, 1997; ASMS: Santa Fe, NM, 1997.
14. Dolle, R. E.; Guo, J.; O'Brien, L.; Jin, Y.; Piznik, M.; Bowman, K. J.; Li, W.; Egan, W. J.; Cavallaro, C. L.; Roughton, A. L.; Zhao, Q.; Reader, J. C.; Orlowski, M.; Jabob-Samuel, B.; Carroll, C. D. J. Comb. Chem. 2000, 2, 716-731.
15. Kassel, D. B. Chem. Rev. 2001, 101, 255-267.
16. Lorthoir, O.; Carr, R. A. E.; Congreve, M. S.; Geysen, M. H.; Kay, C.; Marshall, P.; McKeown, S. C.; Parr, N. J.; Scicinski, J. J.; Watson, S. P. Anal. Chem. 2001, 73, 963-970.
17. Peng, S. X.; Henson, C.; Strojnowski, M. J.; Golebiowski, A.; Klopfenstein, S. R. Anal. Chem. 2000, 72, 261-266.
18. Breitenbucher, J. G.; Arienti, K. L.; McClure, K. J. J. Comb. Chem. 2001, 3, 528-533.
19. Zhang, W.; Luo, Z.; Chen, C. H.-T.; Curran, D. P. J. Am. Chem. Soc. 2002, 124, 10443-10450.
20. Pirrung, M. C.; Tumey, L. N.; McClerren, Raetz, C. R. H. J. Am. Chem. Soc. 2003, 125, 1575-1586
21. Mukjerjee, S.; Poon, K. W. C.; Flynn, D. L.; Hanson, P. R. Tetrahedron Lett. 2003, 44, 7187-7190.
22. Deal, M. J.; Hawes, M. C. Separation of a two phase mixture by freezing and application to combinatorial libraries. PCT Int. Appl., 1998; 20 pp. CODEN: PIXXD2 WO 9851393 A1 19981119 CAN 130:12147 AN 1998:761819.
23. Boger, D. L.; Goldberg, J.; Andersson, C.-M. J. Org. Chem. 1999, 64, 2422-2427.
24. Weller, H. N.; Young, M. G.; Michalczyk, S. J.; Reitnauer, G. H.; Cooley, R. S.; Rahn, P. C.; Loyd, D. J.; Fiore, D. I.; Fischman, S. J. Mol. Diversity 1997, 3, 61-70.
25. Wang, T.; Barber, M.; Hardt, I.; Kassel, D. B. Rapid Commun. Mass Spectrom. 2001, 15, 2067-2075.
26. Edwards, C.; Hunter, D. J. J. Comb. Chem. 2003, 5, 61-66.
27. Yan, B.; Collins, N.; Wheatley, J.; Irving, M.; Leopold, K.; Chan, C.; Shornikov, A.; Fang, L.; Lee, A.; Stock, M.; Zhou, J. J. Comb. Chem. 2004, 6, 255-261.
28. Zeng, L.; Wang, X.; Wang, T.; Kassel, D. B. Comb. Chem. High Throughput Screening 1998, 1, 101-111.
29. Zeng, L.; Kassel, D. B. Anal. Chem. 1998, 70, 4380-4388.
30. Isbell, J.; Xu, R.; Cai, Z.; Kassel, D. J. Comb. Chem. 2002, 4, 600-611.
31. Xu, R.; Wang, T.; Isbell, J.; Cai, Z.; Sykes, C.; Brailsford, A.; Kassel, D. Anal. Chem. 2002, 74, 3055-3062.
32. Kassel, D. B.; Wang, T.; Zeng, L. Parallel fluid electrospray mass spectrometer. PCT Int. Appl., 1999; 49 pp. CODEN: PIXXD2 WO 9965058 A2 19991216 CAN 132:30067 AN 1999:796069.
33. Petrov, D.; Jiang, S.; Santrosyan, A.; Asatryan, H.; Chen, K.; Benner, C.; Downs, R.; Isbell, J.; Zhou, Y. Developing Analysis and Visualization Tools for Lead Discovery. Presented at the 11th International Conference on Intelligent Systems for Molecular Biology, Brisbane, Australia, June 29 to July 3, 2003.
34. Inlet pump configurations examined included four 600 pumps (Waters Corp.), four 1525 HPLC pumps (Waters Corp.), and a 2525 BGM with a Sepmatix 4X flow controller. Fraction collectors examined with the Purification Factory included four WFCII fraction collectors (Waters Corp.), four 204 fraction collectors (Gilson), and a 4X Sepmatix fraction collector. All configurations functioned appropriately.
35. Micklash, K. J., II; Isbell, J. (Irm, Llc, Bermuda). Fluid handling methods and systems. PCT Int. Appl., 2003. Application: WO 2003-US2379 20030124. Priority: US 2002-351821. AN 2003:605227 This system automatically switches between the source solvent containers when the mass of one of the source containers and its solvent falls below a set amount. When the waste-full sensor detects the fluid level at a predefined level, it sends a contact closure out to stop the pump flows feeding into the possible variation in solvent densities, the waste detection system functions independently of mass and functions solely on the occupied volume of the waste container. Several of these units have functioned reliably with several known HPLC solvents and other hazardous liquids.
36. The SAG285 specifications can be found at http://www. mt.com/mt/product_detail/product.jsp?m=t&key= A3MDg4NjMl_D.
37. Lefebvre, P. M.; Brailsford, A.; Brindle, D.; North, C.; Cleary, R.; Potts W. B., III; Smith, B. W. Compound Purification Workflow Management and Optimization. Presented at Pittcon 2003, Orlando, FL, March 9-14, 2003.
38. Sasher, K.; Guintu, C.; Jiang, S.; Chen, K.; Calvin, P.; Zhou, Y.: Isbell, J. J. We Don't Purify It Until You Order It: 'Just in Time' Purification in Support of Lead Discovery Biology. Proceedings of the 54th ASMS Conference on Mass Spectrometry and Allied Topics; ASMS: Santa Fe, NM, 2004.
39. Yan, B.; Fang, L.; Irving, M.; Zhang, S.; Boldi, A. M.; Woolard, F.; Johnson, C. R.; Kshirsagar, T.; Figliozzi, G. M.; Krueger, C. A.; Collins, N. J. Comb. Chem. 2003, 5, 547-559.
40. Isbell, J. J. Design and Implementation of Technologies to Purify 10,000 Samples/Month. Presented at the 6th Annual Symposium on Chemical and Pharmaceutical Structure Analysis, Princeton, NJ, Sept 21-24, 2003.
41. Backes, B. J.; Chang, J.; Isbell, J.; Mainquist, J. K.; Shaw, C. M. Capacity altering device, holder and methods of sample processing. PCT Int. Appl., 2004; 74 pp.
42. This assumption is not optimal and led to the development of a novel technique for postpurification sample processing that addresses this shortcoming. The paper detailing this technique is in progress and will be published elsewhere.