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Showing 1 to 12 of 32 entries
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Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.

ACS medicinal chemistry letters

Deng H, Zhou J, Sundersingh FS, Summerfield J, Somers D, Messer JA, Satz AL, Ancellin N, Arico-Muendel CC, Sargent Bedard KL, Beljean A, Belyanskaya SL, Bingham R, Smith SE, Boursier E, Carter P, Centrella PA, Clark MA, Chung CW, Davie CP, Delorey JL, Ding Y, Franklin GJ, Grady LC, Herry K, Hobbs C, Kollmann CS, Morgan BA, Pothier Kaushansky LJ, Zhou Q.
PMID: 26288694
ACS Med Chem Lett. 2015 Jul 21;6(8):919-24. doi: 10.1021/acsmedchemlett.5b00179. eCollection 2015 Aug 13.

As a potential target for obesity, human BCATm was screened against more than 14 billion DNA encoded compounds of distinct scaffolds followed by off-DNA synthesis and activity confirmation. As a consequence, several series of BCATm inhibitors were discovered. One...

Author Correction: Prioritizing multiple therapeutic targets in parallel using automated DNA-encoded library screening.

Nature communications

Machutta CA, Kollmann CS, Lind KE, Bai X, Chan PF, Huang J, Ballell L, Belyanskaya S, Besra GS, Barros-Aguirre D, Bates RH, Centrella PA, Chang SS, Chai J, Choudhry AE, Coffin A, Davie CP, Deng H, Deng J, Ding Y, Dodson JW, Fosbenner DT, Gao EN, Graham TL, Graybill TL, Ingraham K, Johnson WP, King BW, Kwiatkowski CR, Lelièvre J, Li Y, Liu X, Lu Q, Lehr R, Mendoza-Losana A, Martin J, McCloskey L, McCormick P, O'Keefe HP, O'Keeffe T, Pao C, Phelps CB, Qi H, Rafferty K, Scavello GS, Steiginga MS, Sundersingh FS, Sweitzer SM, Szewczuk LM, Taylor A, Fern Toh M, Wang J, Wang M, Wilkins DJ, Xia B, Yao G, Zhang J, Zhou J, Donahue CP, Messer JA, Holmes D, Arico-Muendel CC, Pope AJ, Gross JW, Evindar G.
PMID: 30004092
Nat Commun. 2018 Jul 13;9:16227. doi: 10.1038/ncomms16227.

This corrects the article DOI: 10.1038/ncomms16081.

Discovery of Novel UDP-.

Journal of medicinal chemistry

Ryan MD, Parkes AL, Corbett D, Dickie AP, Southey M, Andersen OA, Stein DB, Barbeau OR, Sanzone A, Thommes P, Barker J, Cain R, Compper C, Dejob M, Dorali A, Etheridge D, Evans S, Faulkner A, Gadouleau E, Gorman T, Haase D, Holbrow-Wilshaw M, Krulle T, Li X, Lumley C, Mertins B, Napier S, Odedra R, Papadopoulos K, Roumpelakis V, Spear K, Trimby E, Williams J, Zahn M, Keefe AD, Zhang Y, Soutter HT, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Deng B, Hunt A, Sigel EA, Troast DM, DeJonge BLM.
PMID: 34569791
J Med Chem. 2021 Oct 14;64(19):14377-14425. doi: 10.1021/acs.jmedchem.1c00888. Epub 2021 Sep 27.

This study describes a novel series of UDP-

Acute effects of morphine on Substance P concentrations in microdissected regions of guinea-pig brain.

Behavioural pharmacology

Cantarella PA, Chahl LA.
PMID: 11224443
Behav Pharmacol. 1996 Oct;7(5):470-476.

The present study investigated the effects of acute morphine treatment and of naloxone-induced morphine withdrawal on Substance P (SP) concentrations in microdissected regions of the guinea-pig brain. Guinea-pigs, which were treated with a single dose of morphine sulphate (15mg/kg...

Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.

ACS medicinal chemistry letters

Johannes JW, Bates S, Beigie C, Belmonte MA, Breen J, Cao S, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Ferguson AD, Habeshian S, Hargreaves D, Joubran C, Kazmirski S, Keefe AD, Lamb ML, Lan H, Li Y, Ma H, Mlynarski S, Packer MJ, Rawlins PB, Robbins DW, Shen H, Sigel EA, Soutter HH, Su N, Troast DM, Wang H, Wickson KF, Wu C, Zhang Y, Zhao Q, Zheng X, Hird AW.
PMID: 28197319
ACS Med Chem Lett. 2016 Dec 27;8(2):239-244. doi: 10.1021/acsmedchemlett.6b00464. eCollection 2017 Feb 09.

Mcl-1 is a pro-apoptotic BH3 protein family member similar to Bcl-2 and Bcl-xL. Overexpression of Mcl-1 is often seen in various tumors and allows cancer cells to evade apoptosis. Here we report the discovery and optimization of a series...

Numerical methods for solving the planar vacuum Einstein equations.

Physical review. D, Particles and fields

Anninos P, Centrella J, Matzner RA.
PMID: 10013557
Phys Rev D Part Fields. 1991 Mar 15;43(6):1808-1824. doi: 10.1103/physrevd.43.1808.

No abstract available.

Novel irreversible covalent BTK inhibitors discovered using DNA-encoded chemistry.

Bioorganic & medicinal chemistry

Guilinger JP, Archna A, Augustin M, Bergmann A, Centrella PA, Clark MA, Cuozzo JW, Däther M, Guié MA, Habeshian S, Kiefersauer R, Krapp S, Lammens A, Lercher L, Liu J, Liu Y, Maskos K, Mrosek M, Pflügler K, Siegert M, Thomson HA, Tian X, Zhang Y, Konz Makino DL, Keefe AD.
PMID: 34091303
Bioorg Med Chem. 2021 Jul 15;42:116223. doi: 10.1016/j.bmc.2021.116223. Epub 2021 May 19.

Libraries of DNA-Encoded small molecules created using combinatorial chemistry and synthetic oligonucleotides are being applied to drug discovery projects across the pharmaceutical industry. The majority of reported projects describe the discovery of reversible, i.e. non-covalent, target modulators. We synthesized...

Discovery of Novel UDP-.

Journal of medicinal chemistry

Ryan MD, Parkes AL, Corbett D, Dickie AP, Southey M, Andersen OA, Stein DB, Barbeau OR, Sanzone A, Thommes P, Barker J, Cain R, Compper C, Dejob M, Dorali A, Etheridge D, Evans S, Faulkner A, Gadouleau E, Gorman T, Haase D, Holbrow-Wilshaw M, Krulle T, Li X, Lumley C, Mertins B, Napier S, Odedra R, Papadopoulos K, Roumpelakis V, Spear K, Trimby E, Williams J, Zahn M, Keefe AD, Zhang Y, Soutter HT, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Deng B, Hunt A, Sigel EA, Troast DM, DeJonge BLM.
PMID: 34569791
J Med Chem. 2021 Oct 14;64(19):14377-14425. doi: 10.1021/acs.jmedchem.1c00888. Epub 2021 Sep 27.

This study describes a novel series of UDP-

Orally active fumagillin analogues: transformations of a reactive warhead in the gastric environment.

ACS medicinal chemistry letters

Arico-Muendel CC, Blanchette H, Benjamin DR, Caiazzo TM, Centrella PA, DeLorey J, Doyle EG, Johnson SR, Labenski MT, Morgan BA, O'Donovan G, Sarjeant AA, Skinner S, Thompson CD, Griffin ST, Westlin W, White KF.
PMID: 24900682
ACS Med Chem Lett. 2013 Feb 22;4(4):381-6. doi: 10.1021/ml3003633. eCollection 2013 Apr 11.

Semisynthetic analogues of fumagillin, 1, inhibit methionine aminopeptidase-2 (MetAP2) and have entered the clinic for the treatment of cancer. An optimized fumagillin analogue, 3 (PPI-2458), was found to be orally active, despite containing a spiroepoxide function that formed a...

The effect of in-amphorae aging on oenological parameters, phenolic profile and volatile composition of Minutolo white wine.

Food research international (Ottawa, Ont.)

Baiano A, Mentana A, Quinto M, Centonze D, Longobardi F, Ventrella A, Agostiano A, Varva G, De Gianni A, Terracone C, Del Nobile MA.
PMID: 28411995
Food Res Int. 2015 Aug;74:294-305. doi: 10.1016/j.foodres.2015.04.036. Epub 2015 Apr 24.

A wine was obtained from cryomacerated Minutolo grapes under reductive conditions and aged for 12months in glass container and in 3 types of amphorae. After aging, wines in glass containers showed the highest alcohol content, volatile acidity, dissolved oxygen,...

Corrigendum: Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNAEncoded Chemical Library.

Chembiochem : a European journal of chemical biology

Cuozzo JW, Centrella PA, Gikunju D, Habeshian S, Hupp CD, Keefe AD, Sigel EA, Soutter HH, Thomson HA, Zhang Y, Clark MA.
PMID: 29239533
Chembiochem. 2017 Dec 14;18(24):2441. doi: 10.1002/cbic.201700610. Epub 2017 Nov 22.

No abstract available.

Intriguing transport dynamics of ethylammonium nitrate-acetonitrile binary mixtures arising from nano-inhomogeneity.

Physical chemistry chemical physics : PCCP

Mariani A, Bonomo M, Wu B, Centrella B, Dini D, Castner EW, Gontrani L.
PMID: 28975937
Phys Chem Chem Phys. 2017 Oct 18;19(40):27212-27220. doi: 10.1039/c7cp04592a.

Binary mixtures of ethylammonium nitrate and acetonitrile show interesting properties that originate from the structural and dynamical nano-heterogeneity present in ionic liquids. These effects are most pronounced when the ionic liquid is the minority compound. In this study the...

Showing 1 to 12 of 32 entries