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No Denying It: Medicinal Chemistry Training Is in Big Trouble.

Journal of medicinal chemistry

Rafferty MF.
PMID: 27668824
J Med Chem. 2016 Dec 22;59(24):10859-10864. doi: 10.1021/acs.jmedchem.6b00741. Epub 2016 Oct 07.

There has been little consensus between the pharmaceutical industry and academic communities concerning the best approach to train medicinal chemists for drug discovery. For decades the pharmaceutical industry has shown preference for synthetic organic graduates over candidates with degrees...

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Rafferty MF. No Denying It: Medicinal Chemistry Training Is in Big Trouble. J Med Chem. 2016;59(24):10859-10864doi: 10.1021/acs.jmedchem.6b00741.
Rafferty, M. F. (2016). No Denying It: Medicinal Chemistry Training Is in Big Trouble. Journal of medicinal chemistry, 59(24), 10859-10864. https://doi.org/10.1021/acs.jmedchem.6b00741
Rafferty, Michael F. "No Denying It: Medicinal Chemistry Training Is in Big Trouble." Journal of medicinal chemistry vol. 59,24 (2016): 10859-10864. doi: https://doi.org/10.1021/acs.jmedchem.6b00741
Rafferty MF. No Denying It: Medicinal Chemistry Training Is in Big Trouble. J Med Chem. 2016 Dec 22;59(24):10859-10864. doi: 10.1021/acs.jmedchem.6b00741. Epub 2016 Oct 07. PMID: 27668824.
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ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus.

F1000Research

Karp PD, Berger B, Kovats D, Lengauer T, Linial M, Sabeti P, Hide W, Rost B.
PMID: 26097686
F1000Res. 2015 Jan 15;4:12. doi: 10.12688/f1000research.6038.1. eCollection 2015.

Speed is of the essence in combating Ebola; thus, computational approaches should form a significant component of Ebola research. As for the development of any modern drug, computational biology is uniquely positioned to contribute through comparative analysis of the...

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Karp PD, Berger B, Kovats D, et al. ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus. F1000Res. 2015;4:12doi: 10.12688/f1000research.6038.1.
Karp, P. D., Berger, B., Kovats, D., Lengauer, T., Linial, M., Sabeti, P., Hide, W., & Rost, B. (2015). ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus. F1000Research, 412. https://doi.org/10.12688/f1000research.6038.1
Karp, Peter D, et al. "ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus." F1000Research vol. 4 (2015): 12. doi: https://doi.org/10.12688/f1000research.6038.1
Karp PD, Berger B, Kovats D, Lengauer T, Linial M, Sabeti P, Hide W, Rost B. ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus. F1000Res. 2015 Jan 15;4:12. doi: 10.12688/f1000research.6038.1. eCollection 2015. PMID: 26097686; PMCID: PMC4457108.
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A novel dual luciferase based high throughput assay to monitor autophagy in real time in yeast .

Biochemistry and biophysics reports

Mishra P, Rai S, Manjithaya R.
PMID: 28955778
Biochem Biophys Rep. 2017 Jul 20;11:138-146. doi: 10.1016/j.bbrep.2017.07.008. eCollection 2017 Sep.

BACKGROUND: Macroautophagy is a cellular response to starvation wherein superfluous and damaged cytoplasmic constituents are degraded to provide energy for survival and to maintain cellular homeostasis. Dysfunctional autophagy is attributed to disease progression in several pathological conditions and therefore,...

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Mishra P, Rai S, Manjithaya R. A novel dual luciferase based high throughput assay to monitor autophagy in real time in yeast . Biochem Biophys Rep. 2017;11:138-146doi: 10.1016/j.bbrep.2017.07.008.
Mishra, P., Rai, S., & Manjithaya, R. (2017). A novel dual luciferase based high throughput assay to monitor autophagy in real time in yeast . Biochemistry and biophysics reports, 11138-146. https://doi.org/10.1016/j.bbrep.2017.07.008
Mishra, Piyush, et al. "A novel dual luciferase based high throughput assay to monitor autophagy in real time in yeast ." Biochemistry and biophysics reports vol. 11 (2017): 138-146. doi: https://doi.org/10.1016/j.bbrep.2017.07.008
Mishra P, Rai S, Manjithaya R. A novel dual luciferase based high throughput assay to monitor autophagy in real time in yeast . Biochem Biophys Rep. 2017 Jul 20;11:138-146. doi: 10.1016/j.bbrep.2017.07.008. eCollection 2017 Sep. PMID: 28955778; PMCID: PMC5614714.
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2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine.

Journal of the Royal Society, Interface

Hamon V, Bourgeas R, Ducrot P, Theret I, Xuereb L, Basse MJ, Brunel JM, Combes S, Morelli X, Roche P.
PMID: 24196694
J R Soc Interface. 2013 Nov 06;11(90):20130860. doi: 10.1098/rsif.2013.0860. Print 2014 Jan 06.

Over the last 10 years, protein-protein interactions (PPIs) have shown increasing potential as new therapeutic targets. As a consequence, PPIs are today the most screened target class in high-throughput screening (HTS). The development of broad chemical libraries dedicated to...

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Hamon V, Bourgeas R, Ducrot P, et al. 2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine. J R Soc Interface. 2013;11(90):20130860doi: 10.1098/rsif.2013.0860.
Hamon, V., Bourgeas, R., Ducrot, P., Theret, I., Xuereb, L., Basse, M. J., Brunel, J. M., Combes, S., Morelli, X., & Roche, P. (2014). 2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine. Journal of the Royal Society, Interface, 11(90), 20130860. https://doi.org/10.1098/rsif.2013.0860
Hamon, Véronique, et al. "2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine." Journal of the Royal Society, Interface vol. 11,90 (2014): 20130860. doi: https://doi.org/10.1098/rsif.2013.0860
Hamon V, Bourgeas R, Ducrot P, Theret I, Xuereb L, Basse MJ, Brunel JM, Combes S, Morelli X, Roche P. 2P2I HUNTER: a tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine. J R Soc Interface. 2013 Nov 06;11(90):20130860. doi: 10.1098/rsif.2013.0860. Print 2014 Jan 06. PMID: 24196694; PMCID: PMC3836326.
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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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Ketenes in polymer-assisted synthesis.

Angewandte Chemie (International ed. in English)

Rafai Far A.
PMID: 12783496
Angew Chem Int Ed Engl. 2003 May 30;42(21):2340-8. doi: 10.1002/anie.200201594.

Since its inception, ketene chemistry has developed into a unique and well-established source of useful transformations for conventional synthetic organic chemistry. It is, therefore, not surprising that soon after their movement from the realm of peptide and peptoid libraries...

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Rafai Far A. Ketenes in polymer-assisted synthesis. Angew Chem Int Ed Engl. 2003;42(21):2340-8doi: 10.1002/anie.200201594.
Rafai Far, A. (2003). Ketenes in polymer-assisted synthesis. Angewandte Chemie (International ed. in English), 42(21), 2340-8. https://doi.org/10.1002/anie.200201594
Rafai Far, Adel. "Ketenes in polymer-assisted synthesis." Angewandte Chemie (International ed. in English) vol. 42,21 (2003): 2340-8. doi: https://doi.org/10.1002/anie.200201594
Rafai Far A. Ketenes in polymer-assisted synthesis. Angew Chem Int Ed Engl. 2003 May 30;42(21):2340-8. doi: 10.1002/anie.200201594. PMID: 12783496.
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Fragment screening using X-ray crystallography.

Topics in current chemistry

Davies TG, Tickle IJ.
PMID: 21678136
Top Curr Chem. 2012;317:33-59. doi: 10.1007/128_2011_179.

The fragment-based approach is now well established as an important component of modern drug discovery. A key part in establishing its position as a viable technique has been the development of a range of biophysical methodologies with sufficient sensitivity...

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Davies TG, Tickle IJ. Fragment screening using X-ray crystallography. Top Curr Chem. 2012;317:33-59doi: 10.1007/128_2011_179.
Davies, T. G., & Tickle, I. J. (2012). Fragment screening using X-ray crystallography. Topics in current chemistry, 31733-59. https://doi.org/10.1007/128_2011_179
Davies, Thomas G, and Tickle, Ian J. "Fragment screening using X-ray crystallography." Topics in current chemistry vol. 317 (2012): 33-59. doi: https://doi.org/10.1007/128_2011_179
Davies TG, Tickle IJ. Fragment screening using X-ray crystallography. Top Curr Chem. 2012;317:33-59. doi: 10.1007/128_2011_179. PMID: 21678136.
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Automated recycling of chemistry for virtual screening and library design.

Journal of chemical information and modeling

Vainio MJ, Kogej T, Raubacher F.
PMID: 22657574
J Chem Inf Model. 2012 Jul 23;52(7):1777-86. doi: 10.1021/ci300157m. Epub 2012 Jul 02.

An early stage drug discovery project needs to identify a number of chemically diverse and attractive compounds. These hit compounds are typically found through high-throughput screening campaigns. The diversity of the chemical libraries used in screening is therefore important....

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Vainio MJ, Kogej T, Raubacher F. Automated recycling of chemistry for virtual screening and library design. J Chem Inf Model. 2012;52(7):1777-86doi: 10.1021/ci300157m.
Vainio, M. J., Kogej, T., & Raubacher, F. (2012). Automated recycling of chemistry for virtual screening and library design. Journal of chemical information and modeling, 52(7), 1777-86. https://doi.org/10.1021/ci300157m
Vainio, Mikko J, et al. "Automated recycling of chemistry for virtual screening and library design." Journal of chemical information and modeling vol. 52,7 (2012): 1777-86. doi: https://doi.org/10.1021/ci300157m
Vainio MJ, Kogej T, Raubacher F. Automated recycling of chemistry for virtual screening and library design. J Chem Inf Model. 2012 Jul 23;52(7):1777-86. doi: 10.1021/ci300157m. Epub 2012 Jul 02. PMID: 22657574.
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Pharmaceutical structure montages as catalysts for design and discovery.

Future medicinal chemistry

Njarðarson JT.
PMID: 22650237
Future Med Chem. 2012 May;4(8):951-4. doi: 10.4155/fmc.12.30.

Majority of pharmaceuticals are small molecule organic compounds. Their structures are most effectively described and communicated using the graphical language of organic chemistry. A few years ago we decided to harness this powerful language to create new educational tools...

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Njarðarson JT. Pharmaceutical structure montages as catalysts for design and discovery. Future Med Chem. 2012;4(8):951-4doi: 10.4155/fmc.12.30.
Njarðarson, J. T. (2012). Pharmaceutical structure montages as catalysts for design and discovery. Future medicinal chemistry, 4(8), 951-4. https://doi.org/10.4155/fmc.12.30
Njarðarson, Jon T. "Pharmaceutical structure montages as catalysts for design and discovery." Future medicinal chemistry vol. 4,8 (2012): 951-4. doi: https://doi.org/10.4155/fmc.12.30
Njarðarson JT. Pharmaceutical structure montages as catalysts for design and discovery. Future Med Chem. 2012 May;4(8):951-4. doi: 10.4155/fmc.12.30. PMID: 22650237.
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Mapping biologically active chemical space to accelerate drug discovery.

Nature reviews. Drug discovery

Sittampalam GS, Rudnicki DD, Tagle DA, Simeonov A, Austin CP.
PMID: 30710133
Nat Rev Drug Discov. 2019 Feb;18(2):83-84. doi: 10.1038/d41573-018-00007-2.

No abstract available.

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Sittampalam GS, Rudnicki DD, Tagle DA, et al. Mapping biologically active chemical space to accelerate drug discovery. Nat Rev Drug Discov. 2019;18(2):83-84doi: 10.1038/d41573-018-00007-2.
Sittampalam, G. S., Rudnicki, D. D., Tagle, D. A., Simeonov, A., & Austin, C. P. (2019). Mapping biologically active chemical space to accelerate drug discovery. Nature reviews. Drug discovery, 18(2), 83-84. https://doi.org/10.1038/d41573-018-00007-2
Sittampalam, G Sitta, et al. "Mapping biologically active chemical space to accelerate drug discovery." Nature reviews. Drug discovery vol. 18,2 (2019): 83-84. doi: https://doi.org/10.1038/d41573-018-00007-2
Sittampalam GS, Rudnicki DD, Tagle DA, Simeonov A, Austin CP. Mapping biologically active chemical space to accelerate drug discovery. Nat Rev Drug Discov. 2019 Feb;18(2):83-84. doi: 10.1038/d41573-018-00007-2. PMID: 30710133; PMCID: PMC7040855.
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Editorial.

Bioorganic & medicinal chemistry

Fuchter MJ.
PMID: 29885748
Bioorg Med Chem. 2018 Jul 15;26(11):2919-2920. doi: 10.1016/j.bmc.2018.05.037.

No abstract available.

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Fuchter MJ. Editorial. Bioorg Med Chem. 2018;26(11):2919-2920doi: 10.1016/j.bmc.2018.05.037.
Fuchter, M. J. (2018). Editorial. Bioorganic & medicinal chemistry, 26(11), 2919-2920. https://doi.org/10.1016/j.bmc.2018.05.037
Fuchter, Matthew J. "Editorial." Bioorganic & medicinal chemistry vol. 26,11 (2018): 2919-2920. doi: https://doi.org/10.1016/j.bmc.2018.05.037
Fuchter MJ. Editorial. Bioorg Med Chem. 2018 Jul 15;26(11):2919-2920. doi: 10.1016/j.bmc.2018.05.037. PMID: 29885748.
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Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery.

Current medicinal chemistry

Yang J, Wang D, Jia C, Wang M, Hao G, Yang G.
PMID: 29737247
Curr Med Chem. 2019;26(42):7581-7597. doi: 10.2174/0929867325666180508100436.

BACKGROUND: In silico drug discovery has been proved to be a solidly established key component in early drug discovery. However, this task is hampered by the limitation of quantity and quality of compound databases for screening. In order to...

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Yang J, Wang D, Jia C, et al. Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery. Curr Med Chem. 2019;26(42):7581-7597doi: 10.2174/0929867325666180508100436.
Yang, J., Wang, D., Jia, C., Wang, M., Hao, G., & Yang, G. (2019). Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery. Current medicinal chemistry, 26(42), 7581-7597. https://doi.org/10.2174/0929867325666180508100436
Yang, JingFang, et al. "Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery." Current medicinal chemistry vol. 26,42 (2019): 7581-7597. doi: https://doi.org/10.2174/0929867325666180508100436
Yang J, Wang D, Jia C, Wang M, Hao G, Yang G. Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery. Curr Med Chem. 2019;26(42):7581-7597. doi: 10.2174/0929867325666180508100436. PMID: 29737247.
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Showing 1 to 12 of 124 entries