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Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space.

Scientific reports

Peón A, Naulaerts S, Ballester PJ.
PMID: 28630414
Sci Rep. 2017 Jun 19;7(1):3820. doi: 10.1038/s41598-017-04264-w.

Many computational methods to predict the macromolecular targets of small organic molecules have been presented to date. Despite progress, target prediction methods still have important limitations. For example, the most accurate methods implicitly restrict their predictions to a relatively...

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Peón A, Naulaerts S, Ballester PJ. Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space. Sci Rep. 2017;7(1):3820doi: 10.1038/s41598-017-04264-w.
Peón, A., Naulaerts, S., & Ballester, P. J. (2017). Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space. Scientific reports, 7(1), 3820. https://doi.org/10.1038/s41598-017-04264-w
Peón, Antonio, et al. "Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space." Scientific reports vol. 7,1 (2017): 3820. doi: https://doi.org/10.1038/s41598-017-04264-w
Peón A, Naulaerts S, Ballester PJ. Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space. Sci Rep. 2017 Jun 19;7(1):3820. doi: 10.1038/s41598-017-04264-w. PMID: 28630414; PMCID: PMC5476590.
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DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies.

Bioinformatics (Oxford, England)

Fu C, Jin G, Gao J, Zhu R, Ballesteros-Villagrana E, Wong ST.
PMID: 23681121
Bioinformatics. 2013 Jul 15;29(14):1834-6. doi: 10.1093/bioinformatics/btt279. Epub 2013 May 15.

SUMMARY: Systematic studies of drug repositioning require the integration of multi-level drug data, including basic chemical information (such as SMILES), drug targets, target-related signaling pathways, clinical trial information and Food and Drug Administration (FDA)-approval information, to predict new potential...

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Fu C, Jin G, Gao J, et al. DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies. Bioinformatics. 2013;29(14):1834-6doi: 10.1093/bioinformatics/btt279.
Fu, C., Jin, G., Gao, J., Zhu, R., Ballesteros-Villagrana, E., & Wong, S. T. (2013). DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies. Bioinformatics (Oxford, England), 29(14), 1834-6. https://doi.org/10.1093/bioinformatics/btt279
Fu, Changhe, et al. "DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies." Bioinformatics (Oxford, England) vol. 29,14 (2013): 1834-6. doi: https://doi.org/10.1093/bioinformatics/btt279
Fu C, Jin G, Gao J, Zhu R, Ballesteros-Villagrana E, Wong ST. DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies. Bioinformatics. 2013 Jul 15;29(14):1834-6. doi: 10.1093/bioinformatics/btt279. Epub 2013 May 15. PMID: 23681121; PMCID: PMC3702253.
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Preface.

Current drug delivery

Toth I.
PMID: 27447004
Curr Drug Deliv. 2016;13(1):3. doi: 10.2174/156720181301160314153150.

No abstract available.

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Toth I. Preface. Curr Drug Deliv. 2016;13(1):3doi: 10.2174/156720181301160314153150.
Toth, I. (2016). Preface. Current drug delivery, 13(1), 3. https://doi.org/10.2174/156720181301160314153150
Toth, Istvan. "Preface." Current drug delivery vol. 13,1 (2016): 3. doi: https://doi.org/10.2174/156720181301160314153150
Toth I. Preface. Curr Drug Deliv. 2016;13(1):3. doi: 10.2174/156720181301160314153150. PMID: 27447004.
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X-ray crystallography over the past decade for novel drug discovery - where are we heading next?.

Expert opinion on drug discovery

Zheng H, Handing KB, Zimmerman MD, Shabalin IG, Almo SC, Minor W.
PMID: 26177814
Expert Opin Drug Discov. 2015;10(9):975-89. doi: 10.1517/17460441.2015.1061991. Epub 2015 Jul 15.

INTRODUCTION: Macromolecular X-ray crystallography has been the primary methodology for determining the three-dimensional structures of proteins, nucleic acids and viruses. Structural information has paved the way for structure-guided drug discovery and laid the foundations for structural bioinformatics. However, X-ray...

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Zheng H, Handing KB, Zimmerman MD, et al. X-ray crystallography over the past decade for novel drug discovery - where are we heading next?. Expert Opin Drug Discov. 2015;10(9):975-89doi: 10.1517/17460441.2015.1061991.
Zheng, H., Handing, K. B., Zimmerman, M. D., Shabalin, I. G., Almo, S. C., & Minor, W. (2015). X-ray crystallography over the past decade for novel drug discovery - where are we heading next?. Expert opinion on drug discovery, 10(9), 975-89. https://doi.org/10.1517/17460441.2015.1061991
Zheng, Heping, et al. "X-ray crystallography over the past decade for novel drug discovery - where are we heading next?." Expert opinion on drug discovery vol. 10,9 (2015): 975-89. doi: https://doi.org/10.1517/17460441.2015.1061991
Zheng H, Handing KB, Zimmerman MD, Shabalin IG, Almo SC, Minor W. X-ray crystallography over the past decade for novel drug discovery - where are we heading next?. Expert Opin Drug Discov. 2015;10(9):975-89. doi: 10.1517/17460441.2015.1061991. Epub 2015 Jul 15. PMID: 26177814; PMCID: PMC4655606.
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Chemoproteomics as a basis for post-genomic drug discovery.

Drug discovery today

Beroza P, Villar HO, Wick MM, Martin GR.
PMID: 12546968
Drug Discov Today. 2002 Aug 01;7(15):807-14. doi: 10.1016/s1359-6446(02)02371-1.

The large number of small organic compounds now available for drug-lead screening has led to numerous methods for classifying molecular similarity and diversity, the aim being to restore a balance between the quantity and drug-like quality of compounds in...

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Beroza P, Villar HO, Wick MM, et al. Chemoproteomics as a basis for post-genomic drug discovery. Drug Discov Today. 2002;7(15):807-14doi: 10.1016/s1359-6446(02)02371-1.
Beroza, P., Villar, H. O., Wick, M. M., & Martin, G. R. (2002). Chemoproteomics as a basis for post-genomic drug discovery. Drug discovery today, 7(15), 807-14. https://doi.org/10.1016/s1359-6446(02)02371-1
Beroza, Paul, et al. "Chemoproteomics as a basis for post-genomic drug discovery." Drug discovery today vol. 7,15 (2002): 807-14. doi: https://doi.org/10.1016/s1359-6446(02)02371-1
Beroza P, Villar HO, Wick MM, Martin GR. Chemoproteomics as a basis for post-genomic drug discovery. Drug Discov Today. 2002 Aug 01;7(15):807-14. doi: 10.1016/s1359-6446(02)02371-1. PMID: 12546968.
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[On the influence of concentration on the specific rotation ability of different substances also used as drugs].

Pharmazeutische Zentralhalle fur Deutschland

KONKOLY THEGE I, PUNGOR E, SCHULEK E.
PMID: 14410867
Pharm Zentralhalle Dtschl. 1960 May;99:231-40.

No abstract available.

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KONKOLY THEGE I, PUNGOR E, SCHULEK E. [On the influence of concentration on the specific rotation ability of different substances also used as drugs]. Pharm Zentralhalle Dtschl. 1960;99:231-40
KONKOLY THEGE, I., PUNGOR, E., & SCHULEK, E. (1960). [On the influence of concentration on the specific rotation ability of different substances also used as drugs]. Pharmazeutische Zentralhalle fur Deutschland, 99231-40.
KONKOLY THEGE, I, et al. "[On the influence of concentration on the specific rotation ability of different substances also used as drugs]." Pharmazeutische Zentralhalle fur Deutschland vol. 99 (1960): 231-40.
KONKOLY THEGE I, PUNGOR E, SCHULEK E. [On the influence of concentration on the specific rotation ability of different substances also used as drugs]. Pharm Zentralhalle Dtschl. 1960 May;99:231-40. German. PMID: 14410867.
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Chemical geneticists unify their data.

Drug discovery today

Mandavilli A.
PMID: 12547009
Drug Discov Today. 2002 Dec 01;7(23):1148-9. doi: 10.1016/s1359-6446(02)02523-0.

No abstract available.

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Mandavilli A. Chemical geneticists unify their data. Drug Discov Today. 2002;7(23):1148-9doi: 10.1016/s1359-6446(02)02523-0.
Mandavilli, A. (2002). Chemical geneticists unify their data. Drug discovery today, 7(23), 1148-9. https://doi.org/10.1016/s1359-6446(02)02523-0
Mandavilli, Apoorva. "Chemical geneticists unify their data." Drug discovery today vol. 7,23 (2002): 1148-9. doi: https://doi.org/10.1016/s1359-6446(02)02523-0
Mandavilli A. Chemical geneticists unify their data. Drug Discov Today. 2002 Dec 01;7(23):1148-9. doi: 10.1016/s1359-6446(02)02523-0. PMID: 12547009.
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Polarity switching accurate mass measurement of pharmaceutical samples using desorption electrospray ionization and a dual ion source interfaced to an orthogonal acceleration time-of-flight mass spectrometer.

Analytical chemistry

Williams JP, Lock R, Patel VJ, Scrivens JH.
PMID: 17073410
Anal Chem. 2006 Nov 01;78(21):7440-5. doi: 10.1021/ac0609125.

A novel approach for the rapid, accurate mass analysis of pharmaceutical solid, liquid, and cream formulations using desorption electrospray ionization (DESI) is described. The method is based on polarity switching and real-time accurate mass measurement in an orthogonal acceleration...

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Williams JP, Lock R, Patel VJ, et al. Polarity switching accurate mass measurement of pharmaceutical samples using desorption electrospray ionization and a dual ion source interfaced to an orthogonal acceleration time-of-flight mass spectrometer. Anal Chem. 2006;78(21):7440-5doi: 10.1021/ac0609125.
Williams, J. P., Lock, R., Patel, V. J., & Scrivens, J. H. (2006). Polarity switching accurate mass measurement of pharmaceutical samples using desorption electrospray ionization and a dual ion source interfaced to an orthogonal acceleration time-of-flight mass spectrometer. Analytical chemistry, 78(21), 7440-5. https://doi.org/10.1021/ac0609125
Williams, Jonathan P, et al. "Polarity switching accurate mass measurement of pharmaceutical samples using desorption electrospray ionization and a dual ion source interfaced to an orthogonal acceleration time-of-flight mass spectrometer." Analytical chemistry vol. 78,21 (2006): 7440-5. doi: https://doi.org/10.1021/ac0609125
Williams JP, Lock R, Patel VJ, Scrivens JH. Polarity switching accurate mass measurement of pharmaceutical samples using desorption electrospray ionization and a dual ion source interfaced to an orthogonal acceleration time-of-flight mass spectrometer. Anal Chem. 2006 Nov 01;78(21):7440-5. doi: 10.1021/ac0609125. PMID: 17073410.
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Nanomedicine for drug delivery and imaging: a promising avenue for cancer therapy and diagnosis using targeted functional nanoparticles.

International journal of cancer

Liu Y, Miyoshi H, Nakamura M.
PMID: 17390371
Int J Cancer. 2007 Jun 15;120(12):2527-37. doi: 10.1002/ijc.22709.

The diagnosis and treatment of cancer or tumor at the cellular level will be greatly improved with the development of techniques that enable the delivery of analyte probes and therapeutic agents into cells and cellular compartments. Organic and inorganic...

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Liu Y, Miyoshi H, Nakamura M. Nanomedicine for drug delivery and imaging: a promising avenue for cancer therapy and diagnosis using targeted functional nanoparticles. Int J Cancer. 2007;120(12):2527-37doi: 10.1002/ijc.22709.
Liu, Y., Miyoshi, H., & Nakamura, M. (2007). Nanomedicine for drug delivery and imaging: a promising avenue for cancer therapy and diagnosis using targeted functional nanoparticles. International journal of cancer, 120(12), 2527-37. https://doi.org/10.1002/ijc.22709
Liu, Yiyao, et al. "Nanomedicine for drug delivery and imaging: a promising avenue for cancer therapy and diagnosis using targeted functional nanoparticles." International journal of cancer vol. 120,12 (2007): 2527-37. doi: https://doi.org/10.1002/ijc.22709
Liu Y, Miyoshi H, Nakamura M. Nanomedicine for drug delivery and imaging: a promising avenue for cancer therapy and diagnosis using targeted functional nanoparticles. Int J Cancer. 2007 Jun 15;120(12):2527-37. doi: 10.1002/ijc.22709. PMID: 17390371.
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Comprehensive survey of combinatorial library synthesis: 2005.

Journal of combinatorial chemistry

Dolle RE, Le Bourdonnec B, Morales GA, Moriarty KJ, Salvino JM.
PMID: 16961395
J Comb Chem. 2006 Sep-Oct;8(5):597-635. doi: 10.1021/cc060095m.

No abstract available.

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Dolle RE, Le Bourdonnec B, Morales GA, et al. Comprehensive survey of combinatorial library synthesis: 2005. J Comb Chem. 2006;8(5):597-635doi: 10.1021/cc060095m.
Dolle, R. E., Le Bourdonnec, B., Morales, G. A., Moriarty, K. J., & Salvino, J. M. (2006). Comprehensive survey of combinatorial library synthesis: 2005. Journal of combinatorial chemistry, 8(5), 597-635. https://doi.org/10.1021/cc060095m
Dolle, Roland E, et al. "Comprehensive survey of combinatorial library synthesis: 2005." Journal of combinatorial chemistry vol. 8,5 (2006): 597-635. doi: https://doi.org/10.1021/cc060095m
Dolle RE, Le Bourdonnec B, Morales GA, Moriarty KJ, Salvino JM. Comprehensive survey of combinatorial library synthesis: 2005. J Comb Chem. 2006 Sep-Oct;8(5):597-635. doi: 10.1021/cc060095m. PMID: 16961395.
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Three-dimensional printing in pharmaceutics: promises and problems.

Journal of pharmaceutical sciences

Yu DG, Zhu LM, Branford-White CJ, Yang XL.
PMID: 18257041
J Pharm Sci. 2008 Sep;97(9):3666-90. doi: 10.1002/jps.21284.

Three-dimensional printing (3DP) is a rapid prototyping (RP) technology. Prototyping involves constructing specific layers that uses powder processing and liquid binding materials. Reports in the literature have highlighted the many advantages of the 3DP system over other processes in...

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Yu DG, Zhu LM, Branford-White CJ, et al. Three-dimensional printing in pharmaceutics: promises and problems. J Pharm Sci. 2008;97(9):3666-90doi: 10.1002/jps.21284.
Yu, D. G., Zhu, L. M., Branford-White, C. J., & Yang, X. L. (2008). Three-dimensional printing in pharmaceutics: promises and problems. Journal of pharmaceutical sciences, 97(9), 3666-90. https://doi.org/10.1002/jps.21284
Yu, Deng Guang, et al. "Three-dimensional printing in pharmaceutics: promises and problems." Journal of pharmaceutical sciences vol. 97,9 (2008): 3666-90. doi: https://doi.org/10.1002/jps.21284
Yu DG, Zhu LM, Branford-White CJ, Yang XL. Three-dimensional printing in pharmaceutics: promises and problems. J Pharm Sci. 2008 Sep;97(9):3666-90. doi: 10.1002/jps.21284. PMID: 18257041.
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Early chemical development at Legacy Wyeth Research.

Drug discovery today

O'Brien MK, Kolb M, Connolly TJ, McWilliams JC, Sutherland K.
PMID: 21111844
Drug Discov Today. 2011 Jan;16(1):81-8. doi: 10.1016/j.drudis.2010.11.008. Epub 2010 Nov 25.

This article describes an approach to early process development in the context of the productivity model in legacy Wyeth (i.e. to deliver two New Drug Applications per year for New Molecular Entities). As a result of the model, the...

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O'Brien MK, Kolb M, Connolly TJ, et al. Early chemical development at Legacy Wyeth Research. Drug Discov Today. 2010;16(1):81-8doi: 10.1016/j.drudis.2010.11.008.
O'Brien, M. K., Kolb, M., Connolly, T. J., McWilliams, J. C., & Sutherland, K. (2011). Early chemical development at Legacy Wyeth Research. Drug discovery today, 16(1), 81-8. https://doi.org/10.1016/j.drudis.2010.11.008
O'Brien, Michael K, et al. "Early chemical development at Legacy Wyeth Research." Drug discovery today vol. 16,1 (2011): 81-8. doi: https://doi.org/10.1016/j.drudis.2010.11.008
O'Brien MK, Kolb M, Connolly TJ, McWilliams JC, Sutherland K. Early chemical development at Legacy Wyeth Research. Drug Discov Today. 2011 Jan;16(1):81-8. doi: 10.1016/j.drudis.2010.11.008. Epub 2010 Nov 25. PMID: 21111844.
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Showing 1 to 12 of 80 entries