Sherer EC[au] - PubMed

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Items: 46

Select item 296291121.

Beyond optical rotation: what's left is not always right in total synthesis.

Joyce LA, Nawrat CC, Sherer EC, Biba M, Brunskill A, Martin GE, Cohen RD, Davies IW.

Chem Sci. 2017 Oct 30;9(2):415-424. doi: 10.1039/c7sc04249c. eCollection 2018 Jan 14.

PMID:: 29629112

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Select item 295102172.

Computational prediction of chemical reactions: current status and outlook.

Engkvist O, Norrby PO, Selmi N, Lam YH, Peng Z, Sherer EC, Amberg W, Erhard T, Smyth LA.

Drug Discov Today. 2018 Mar 3. pii: S1359-6446(17)30506-8. doi: 10.1016/j.drudis.2018.02.014. [Epub ahead of print] Review.

PMID:: 29510217

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Select item 293838463.

Modeling and predicting chiral stationary phase enantioselectivity: An efficient random forest classifier using an optimally balanced training dataset and an aggregation strategy.

Piras P, Sheridan R, Sherer EC, Schafer W, Welch CJ, Roussel C.

J Sep Sci. 2018 Mar;41(6):1365-1375. doi: 10.1002/jssc.201701334. Epub 2018 Mar 2.

PMID:: 29383846

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Select item 289819654.

Absolute configuration assignment of (+)-fluralaner using vibrational circular dichroism.

Kong J, Joyce LA, Liu J, Jarrell TM, Culberson JC, Sherer EC.

Chirality. 2017 Dec;29(12):854-864. doi: 10.1002/chir.22770. Epub 2017 Oct 5.

PMID:: 28981965

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Select item 288128975.

Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.

Whitehead A, Zhang Y, McCabe Dunn J, Sherer EC, Lam YH, Stelmach J, Sun A, Shiroda M, Orr RK, Waddell ST, Raghavan S.

Org Lett. 2017 Sep 1;19(17):4448-4451. doi: 10.1021/acs.orglett.7b01930. Epub 2017 Aug 16.

PMID:: 28812897

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Select item 287763716.

Asymmetric Formal Synthesis of the Long-Acting DPP-4 Inhibitor Omarigliptin.

Peng F, Chen Y, Chen CY, Dormer PG, Kassim A, McLaughlin M, Reamer RA, Sherer EC, Song ZJ, Tan L, Tudge MT, Wan B, Chung JYL.

J Org Chem. 2017 Sep 1;82(17):9023-9029. doi: 10.1021/acs.joc.7b01467. Epub 2017 Aug 14.

PMID:: 28776371

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Select item 287317017.

Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.

He CQ, Simon A, Lam YH, Brunskill APJ, Yasuda N, Tan J, Hyde AM, Sherer EC, Houk KN.

J Org Chem. 2017 Aug 18;82(16):8645-8650. doi: 10.1021/acs.joc.7b01577. Epub 2017 Jul 31.

PMID:: 28731701

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Select item 285535228.

A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions.

Ji Y, Li H, Hyde AM, Chen Q, Belyk KM, Lexa KW, Yin J, Sherer EC, Williamson RT, Brunskill A, Ren S, Campeau LC, Davies IW, Ruck RT.

Chem Sci. 2017 Apr 1;8(4):2841-2851. doi: 10.1039/c6sc05472b. Epub 2017 Jan 19.

PMID:: 28553522

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Select item 285535179.

The protecting-group free selective 3'-functionalization of nucleosides.

McCabe Dunn JM, Reibarkh M, Sherer EC, Orr RK, Ruck RT, Simmons B, Bellomo A.

Chem Sci. 2017 Apr 1;8(4):2804-2810. doi: 10.1039/c6sc05081f. Epub 2017 Jan 18.

PMID:: 28553517

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Select item 2845064110.

A multifunctional catalyst that stereoselectively assembles prodrugs.

DiRocco DA, Ji Y, Sherer EC, Klapars A, Reibarkh M, Dropinski J, Mathew R, Maligres P, Hyde AM, Limanto J, Brunskill A, Ruck RT, Campeau LC, Davies IW.

Science. 2017 Apr 28;356(6336):426-430. doi: 10.1126/science.aam7936.

PMID:: 28450641

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Select item 2838914911.

Discovery of selective, orally bioavailable, N-linked arylsulfonamide Na_v1.7 inhibitors with pain efficacy in mice.

Roecker AJ, Egbertson M, Jones KLG, Gomez R, Kraus RL, Li Y, Koser AJ, Urban MO, Klein R, Clements M, Panigel J, Daley C, Wang J, Finger EN, Majercak J, Santarelli V, Gregan I, Cato M, Filzen T, Jovanovska A, Wang YH, Wang D, Joyce LA, Sherer EC, Peng X, Wang X, Sun H, Coleman PJ, Houghton AK, Layton ME.

Bioorg Med Chem Lett. 2017 May 15;27(10):2087-2093. doi: 10.1016/j.bmcl.2017.03.085. Epub 2017 Mar 30.

PMID:: 28389149

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Select item 2837500912.

Sustainable Practices in Medicinal Chemistry Part 2: Green by Design.

Aliagas I, Berger R, Goldberg K, Nishimura RT, Reilly J, Richardson P, Richter D, Sherer EC, Sparling BA, Bryan MC.

J Med Chem. 2017 Jul 27;60(14):5955-5968. doi: 10.1021/acs.jmedchem.6b01837. Epub 2017 Apr 12. Review.

PMID:: 28375009

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Select item 2825295913.

Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors.

Cernak T, Gesmundo NJ, Dykstra K, Yu Y, Wu Z, Shi ZC, Vachal P, Sperbeck D, He S, Murphy BA, Sonatore L, Williams S, Madeira M, Verras A, Reiter M, Lee CH, Cuff J, Sherer EC, Kuethe J, Goble S, Perrotto N, Pinto S, Shen DM, Nargund R, Balkovec J, DeVita RJ, Dreher SD.

J Med Chem. 2017 May 11;60(9):3594-3605. doi: 10.1021/acs.jmedchem.6b01543. Epub 2017 Mar 2.

PMID:: 28252959

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Select item 2810184914.

Mechanistic Study of the Gas-Phase In-Source Hofmann Elimination of Doubly Quaternized Cinchona-Alkaloid Based Phase-Transfer Catalysts by (+)-Electrospray Ionization/Tandem Mass Spectrometry.

Yang RS, Sheng H, Lexa KW, Sherer EC, Zhang LK, Xiang B, Helmy R, Mao B.

J Am Soc Mass Spectrom. 2017 Mar;28(3):452-460. doi: 10.1007/s13361-016-1583-x. Epub 2017 Jan 18.

PMID:: 28101849

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Select item 2800295815.

Discovery of N-[Bis(4-methoxyphenyl)methyl]-4-hydroxy-2-(pyridazin-3-yl)pyrimidine-5-carboxamide (MK-8617), an Orally Active Pan-Inhibitor of Hypoxia-Inducible Factor Prolyl Hydroxylase 1-3 (HIF PHD1-3) for the Treatment of Anemia.

Debenham JS, Madsen-Duggan C, Clements MJ, Walsh TF, Kuethe JT, Reibarkh M, Salowe SP, Sonatore LM, Hajdu R, Milligan JA, Visco DM, Zhou D, Lingham RB, Stickens D, DeMartino JA, Tong X, Wolff M, Pang J, Miller RR, Sherer EC, Hale JJ.

J Med Chem. 2016 Dec 22;59(24):11039-11049. doi: 10.1021/acs.jmedchem.6b01242. Epub 2016 Nov 30.

PMID:: 28002958

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Select item 2799474716.

Discovery and Optimization of a Novel Triazole Series of GPR142 Agonists for the Treatment of Type 2 Diabetes.

Guo L, Parker DL, Zang Y, Sweis RF, Liu W, Sherer EC, Buist N, Terebetski J, Kelly T, Bugianesi R, Priest BT, Dingley KH, Li X, Mitelman S, Salituro G, Trujillo ME, Pachanski M, Kirkland M, Powles MA, Eiermann GJ, Feng Y, Shang J, Howard AD, Ujjainwalla F, Sinz CJ, Debenham JS, Edmondson SD, Nargund RP, Hagmann WK, Li D.

ACS Med Chem Lett. 2016 Oct 12;7(12):1107-1111. eCollection 2016 Dec 8.

PMID:: 27994747

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Select item 2787864317.

The evolution of drug design at Merck Research Laboratories.

Brown FK, Sherer EC, Johnson SA, Holloway MK, Sherborne BS.

J Comput Aided Mol Des. 2017 Mar;31(3):255-266. doi: 10.1007/s10822-016-9993-1. Epub 2016 Nov 23.

PMID:: 27878643

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Select item 2768998718.

Mining Chromatographic Enantioseparation Data Using Matched Molecular Pair Analysis.

Sheridan RP, Piras P, Sherer EC, Roussel C, Pirkle WH, Welch CJ.

Molecules. 2016 Sep 29;21(10). pii: E1297.

PMID:: 27689987

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Select item 2750368419.

Systematic chemical modifications of single stranded siRNAs significantly improved CTNNB1 mRNA silencing.

Chang W, Pei Y, Guidry EN, Zewge D, Parish CA, Sherer EC, DiMuzio J, Zhang H, South VJ, Strapps WR, Sepp-Lorenzino L, Colletti SL, Stanton MG.

Bioorg Med Chem Lett. 2016 Sep 15;26(18):4513-4517. doi: 10.1016/j.bmcl.2016.07.064. Epub 2016 Jul 28.

PMID:: 27503684

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Select item 2731850920.

Toward structure-based predictive tools for the selection of chiral stationary phases for the chromatographic separation of enantiomers.

Sheridan R, Schafer W, Piras P, Zawatzky K, Sherer EC, Roussel C, Welch CJ.

J Chromatogr A. 2016 Oct 7;1467:206-213. doi: 10.1016/j.chroma.2016.05.066. Epub 2016 May 20.

PMID:: 27318509

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Select item 2724055021.

Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes.

Wilson JE, Kurukulasuriya R, Sinz C, Lombardo M, Bender K, Parker D, Sherer EC, Costa M, Dingley K, Li X, Mitelman S, Tong S, Bugianesi R, Ehrhardt A, Priest B, Ratliff K, Ujjainwalla F, Nargund R, Hagmann WK, Edmondson S.

Bioorg Med Chem Lett. 2016 Jun 15;26(12):2947-2951. doi: 10.1016/j.bmcl.2016.04.018.

PMID:: 27240550

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Select item 2698532122.

Optimization of Novel Aza-benzimidazolone mGluR2 PAMs with Respect to LLE and PK Properties and Mitigation of CYP TDI.

Pero JE, Rossi MA, Kelly MJ 3rd, Lehman HD, Layton ME, Garbaccio RM, O'Brien JA, Magliaro BC, Uslaner JM, Huszar SL, Fillgrove KL, Tang C, Kuo Y, Joyce LA, Sherer EC, Jacobson MA.

ACS Med Chem Lett. 2016 Jan 10;7(3):312-7. doi: 10.1021/acsmedchemlett.5b00459. eCollection 2016 Mar 10.

PMID:: 26985321

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Select item 2687194023.

Definitive Metabolite Identification Coupled with Automated Ligand Identification System (ALIS) Technology: A Novel Approach to Uncover Structure-Activity Relationships and Guide Drug Design in a Factor IXa Inhibitor Program.

Zhang T, Liu Y, Yang X, Martin GE, Yao H, Shang J, Bugianesi RM, Ellsworth KP, Sonatore LM, Nizner P, Sherer EC, Hill SE, Knemeyer IW, Geissler WM, Dandliker PJ, Helmy R, Wood HB.

J Med Chem. 2016 Mar 10;59(5):1818-29. doi: 10.1021/acs.jmedchem.5b01293. Epub 2016 Feb 22.

PMID:: 26871940

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Select item 2675616524.

Antenna Biphenols: Development of Extended Wavelength Chiroptical Reporters.

Bentley KW, Joyce LA, Sherer EC, Sheng H, Wolf C, Welch CJ.

J Org Chem. 2016 Feb 5;81(3):1185-91. doi: 10.1021/acs.joc.5b02716. Epub 2016 Jan 26.

PMID:: 26756165

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Select item 2649850525.

Capture of reactive monophosphine-ligated palladium(0) intermediates by mass spectrometry.

Zheng Q, Liu Y, Chen Q, Hu M, Helmy R, Sherer EC, Welch CJ, Chen H.

J Am Chem Soc. 2015 Nov 11;137(44):14035-8. doi: 10.1021/jacs.5b08905. Epub 2015 Oct 28.

PMID:: 26498505

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Select item 2631899926.

Development of a novel tricyclic class of potent and selective FIXa inhibitors.

Meng D, Andre P, Bateman TJ, Berger R, Chen YH, Desai K, Dewnani S, Ellsworth K, Feng D, Geissler WM, Guo L, Hruza A, Jian T, Li H, Metzger J, Parker DL, Reichert P, Sherer EC, Smith CJ, Sonatore LM, Tschirret-Guth R, Wu J, Xu J, Zhang T, Campeau LC, Orr R, Poirier M, McCabe-Dunn J, Araki K, Nishimura T, Sakurada I, Hirabayashi T, Wood HB.

Bioorg Med Chem Lett. 2015 Nov 15;25(22):5437-43. doi: 10.1016/j.bmcl.2015.07.078. Epub 2015 Jul 31.

PMID:: 26318999

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Select item 2619912027.

Discovery of substituted (4-phenyl-1H-imidazol-2-yl)methanamine as potent somatostatin receptor 3 agonists.

Lai Z, He S, Sherer EC, Wu Z, Yu Y, Ball R, Hong Q, Yang DX, Guo L, Li D, Tuang Q, Chicchi GG, Trusca D, Tsao KL, Zhou YP, Howard AD, Nargund RP, Hagmann WK.

Bioorg Med Chem Lett. 2015 Sep 1;25(17):3520-5. doi: 10.1016/j.bmcl.2015.06.087. Epub 2015 Jul 4.

PMID:: 26199120

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Select item 2617844128.

Homodecoupled 1,1- and 1,n-ADEQUATE: Pivotal NMR Experiments for the Structure Revision of Cryptospirolepine.

Saurí J, Bermel W, Buevich AV, Sherer EC, Joyce LA, Sharaf MH, Schiff PL Jr, Parella T, Williamson RT, Martin GE.

Angew Chem Int Ed Engl. 2015 Aug 24;54(35):10160-4. doi: 10.1002/anie.201502540. Epub 2015 Jul 15.

PMID:: 26178441

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Select item 2601726729.

Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool.

Tyagarajan S, Lowden CT, Peng Z, Dykstra KD, Sherer EC, Krska SW.

J Chem Inf Model. 2015 Jun 22;55(6):1130-5. doi: 10.1021/acs.jcim.5b00162. Epub 2015 Jun 10.

PMID:: 26017267

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Select item 2597896630.

Development of a novel class of potent and selective FIXa inhibitors.

Zhang T, Andre P, Bateman TJ, Chen YH, Desai K, Ellsworth K, Geissler WM, Guo L, Hruza A, Jian T, Meng D, Parker DL Jr, Qian X, Reichert P, Sherer EC, Shu M, Smith CJ, Sonatore LM, Tschirret-Guth R, Nolting AF, Orr R, Campeau LC, Araki K, Nishimura T, Sakurada I, Wood HB.

Bioorg Med Chem Lett. 2015 Nov 1;25(21):4945-9. doi: 10.1016/j.bmcl.2015.04.057. Epub 2015 Apr 29.

PMID:: 25978966

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Select item 2593701331.

Rapid development of two factor IXa inhibitors from hit to lead.

Parker DL Jr, Walsh S, Li B, Kim E, Sharipour A, Smith C, Chen YH, Berger R, Harper B, Zhang T, Park M, Shu M, Wu J, Xu J, Dewnani S, Sherer EC, Hruza A, Reichert P, Geissler W, Sonatore L, Ellsworth K, Balkovec J, Greenlee W, Wood HB.

Bioorg Med Chem Lett. 2015 Jun 1;25(11):2321-5. doi: 10.1016/j.bmcl.2015.04.025. Epub 2015 Apr 13.

PMID:: 25937013

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Select item 2573599732.

Absolute configuration of remisporines A & B.

Sherer EC, Cheeseman JR, Williamson RT.

Org Biomol Chem. 2015 Apr 14;13(14):4169-73. doi: 10.1039/c5ob00082c. Epub 2015 Mar 4.

PMID:: 25735997

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Select item 2480288933.

Modeling a crowdsourced definition of molecular complexity.

Sheridan RP, Zorn N, Sherer EC, Campeau LC, Chang CZ, Cumming J, Maddess ML, Nantermet PG, Sinz CJ, O'Shea PD.

J Chem Inf Model. 2014 Jun 23;54(6):1604-16. doi: 10.1021/ci5001778. Epub 2014 May 20.

PMID:: 24802889

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Select item 2438345234.

Systematic approach to conformational sampling for assigning absolute configuration using vibrational circular dichroism.

Sherer EC, Lee CH, Shpungin J, Cuff JF, Da C, Ball R, Bach R, Crespo A, Gong X, Welch CJ.

J Med Chem. 2014 Jan 23;57(2):477-94. doi: 10.1021/jm401600u. Epub 2014 Jan 2.

PMID:: 24383452

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Select item 2433922835.

Chromatographic separation and assignment of absolute configuration of hydroxywarfarin isomers.

Regalado EL, Sherer EC, Green MD, Hendersonl DW, Thomas Williamson R, Joyce LA, Welch CJ.

Chirality. 2014 Feb;26(2):95-101. doi: 10.1002/chir.22274. Epub 2013 Dec 13.

PMID:: 24339228

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Select item 2747709436.

QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities.

Sherer EC, Verras A, Madeira M, Hagmann WK, Sheridan RP, Roberts D, Bleasby K, Cornell WD.

Mol Inform. 2012 Apr;31(3-4):231-45. doi: 10.1002/minf.201100157. Epub 2012 Mar 12.

PMID:: 27477094

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Select item 2236452837.

1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia.

Vachal P, Miao S, Pierce JM, Guiadeen D, Colandrea VJ, Wyvratt MJ, Salowe SP, Sonatore LM, Milligan JA, Hajdu R, Gollapudi A, Keohane CA, Lingham RB, Mandala SM, DeMartino JA, Tong X, Wolff M, Steinhuebel D, Kieczykowski GR, Fleitz FJ, Chapman K, Athanasopoulos J, Adam G, Akyuz CD, Jena DK, Lusen JW, Meng J, Stein BD, Xia L, Sherer EC, Hale JJ.

J Med Chem. 2012 Apr 12;55(7):2945-59. doi: 10.1021/jm201542d. Epub 2012 Feb 27.