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Items: 1 to 50 of 128

1.

Chemistry, Screening, and the Democracy of Publishing.

Lushington GH.

Comb Chem High Throughput Screen. 2019;22(5):288-289. doi: 10.2174/1386207322999190715161959.

PMID:
31446889
2.

Chemistry, Screening, and the Democracy of Publishing

Lushington GH.

Comb Chem High Throughput Screen. 2019 Jul 15. doi: 10.2174/1386207322999190715161959. [Epub ahead of print] No abstract available.

PMID:
31309819
3.

Protein Glycation: An Old Villain is Shedding Secrets.

Lushington GH, Barnes AC.

Comb Chem High Throughput Screen. 2019;22(6):362-369. doi: 10.2174/1386207322666190704094356.

PMID:
31272349
4.

Preface.

Lushington GH.

Comb Chem High Throughput Screen. 2019;22(1):3. doi: 10.2174/138620732201190503114424.

PMID:
31146658
5.

Editorial: Breaking the Discovery Impasse (Part 2): Deep Learning New Tricks from Old Data.

Lushington GH.

Comb Chem High Throughput Screen. 2018;21(4):234-235. doi: 10.2174/138620732104180525085003. No abstract available.

PMID:
29879877
6.

Editorial: Breaking the Discovery Impasse (part 1): A Case for Deep Learning.

Lushington GH.

Comb Chem High Throughput Screen. 2018;21(1):3-4. doi: 10.2174/138620732101180320113313. No abstract available.

PMID:
29618304
7.

Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.

Galasiti Kankanamalage AC, Kim Y, Damalanka VC, Rathnayake AD, Fehr AR, Mehzabeen N, Battaile KP, Lovell S, Lushington GH, Perlman S, Chang KO, Groutas WC.

Eur J Med Chem. 2018 Apr 25;150:334-346. doi: 10.1016/j.ejmech.2018.03.004. Epub 2018 Mar 6.

8.

Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.

Damalanka VC, Kim Y, Galasiti Kankanamalage AC, Rathnayake AD, Mehzabeen N, Battaile KP, Lovell S, Nguyen HN, Lushington GH, Chang KO, Groutas WC.

Eur J Med Chem. 2018 Jan 1;143:881-890. doi: 10.1016/j.ejmech.2017.12.014. Epub 2017 Dec 6.

9.

Editorial: Great Science: Literature, Logic and a Bit of Modeling Glue.

Lushington GH.

Comb Chem High Throughput Screen. 2017;20(1):2. doi: 10.2174/138620732001170323182316. No abstract available.

PMID:
28954625
10.

Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.

Damalanka VC, Kim Y, Galasiti Kankanamalage AC, Lushington GH, Mehzabeen N, Battaile KP, Lovell S, Chang KO, Groutas WC.

Eur J Med Chem. 2017 Feb 15;127:41-61. doi: 10.1016/j.ejmech.2016.12.033. Epub 2016 Dec 21.

11.

Editorial: Beyond Pills and Needles: Delivering on New Promise.

Lushington GH.

Comb Chem High Throughput Screen. 2016;19(9):690. No abstract available.

PMID:
27966399
12.

Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.

Galasiti Kankanamalage AC, Kim Y, Rathnayake AD, Damalanka VC, Weerawarna PM, Doyle ST, Alsoudi AF, Dissanayake DMP, Lushington GH, Mehzabeen N, Battaile KP, Lovell S, Chang KO, Groutas WC.

Eur J Med Chem. 2017 Jan 27;126:502-516. doi: 10.1016/j.ejmech.2016.11.027. Epub 2016 Nov 14.

13.

Enantiospecific Synthesis and Cytotoxicity Evaluation of Oximidine II Analogues.

Schneider CM, Li W, Khownium K, Lushington GH, Georg GI.

ChemMedChem. 2016 Aug 5;11(15):1600-16. doi: 10.1002/cmdc.201600024. Epub 2016 May 31.

14.

Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.

Weerawarna PM, Kim Y, Galasiti Kankanamalage AC, Damalanka VC, Lushington GH, Alliston KR, Mehzabeen N, Battaile KP, Lovell S, Chang KO, Groutas WC.

Eur J Med Chem. 2016 Aug 25;119:300-18. doi: 10.1016/j.ejmech.2016.04.013. Epub 2016 Apr 25.

15.

Editorial: Validate and Verify: Keys to Scientific Excellence.

Chaguturu R, Lushington GH.

Comb Chem High Throughput Screen. 2016;19(3):178-9. No abstract available.

PMID:
27017823
16.

In Memorium, Professor Lester Mitscher.

Lushington GH.

Comb Chem High Throughput Screen. 2015;18(9):832-3. No abstract available.

PMID:
26828079
17.

Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.

Damalanka VC, Kim Y, Alliston KR, Weerawarna PM, Galasiti Kankanamalage AC, Lushington GH, Mehzabeen N, Battaile KP, Lovell S, Chang KO, Groutas WC.

J Med Chem. 2016 Mar 10;59(5):1899-913. doi: 10.1021/acs.jmedchem.5b01464. Epub 2016 Feb 8.

18.

Biomedical research: a house of cards?

Lushington GH, Chaguturu R.

Future Med Chem. 2016 Jan;8(1):1-5. doi: 10.4155/fmc.15.171. Epub 2015 Dec 21. No abstract available.

19.

Glycosylation Effects on FSH-FSHR Interaction Dynamics: A Case Study of Different FSH Glycoforms by Molecular Dynamics Simulations.

Meher BR, Dixit A, Bousfield GR, Lushington GH.

PLoS One. 2015 Sep 24;10(9):e0137897. doi: 10.1371/journal.pone.0137897. eCollection 2015.

20.

Pits (and Plums?) in the Mire of Medical Talk Shows.

Lushington GH.

Comb Chem High Throughput Screen. 2015;18(5):440-1. No abstract available.

PMID:
26220831
21.

Computational toxicology: screening, chemistry, or much more?

Lushington GH.

Comb Chem High Throughput Screen. 2014;17(9):733. No abstract available.

PMID:
25403346
22.

Comparative modeling of proteins.

Lushington GH.

Methods Mol Biol. 2015;1215:309-30. doi: 10.1007/978-1-4939-1465-4_14.

PMID:
25330969
23.

Editorial: mining for pharmacophores in phenotypic screens.

Lushington GH.

Comb Chem High Throughput Screen. 2014;17(8):651. No abstract available.

PMID:
25268543
24.

Chemical screening: thinking big with big data.

Lushington GH.

Comb Chem High Throughput Screen. 2014;17(6):483-4. No abstract available.

PMID:
24975138
25.

Cloning and characterization of feline islet glucokinase.

Lindbloom-Hawley S, LeCluyse M, Vandersande V, Lushington GH, Schermerhorn T.

BMC Vet Res. 2014 Jun 10;10:130. doi: 10.1186/1746-6148-10-130.

26.

Mechanisms by which synthetic 6,7-annulated-4-substituted indole compounds with anti-proliferative activity disrupt mitosis and block cytokinesis in human HL-60 tumor cells in vitro.

Perchellet JP, Perchellet EM, Singh CR, Monnett MT, Studer ER, Thornton PD, Brown N, Hill D, Neuenswander B, Lushington GH, Santini C, Buszek KR.

Anticancer Res. 2014 Apr;34(4):1643-55.

27.

Potent inhibition of norovirus by dipeptidyl α-hydroxyphosphonate transition state mimics.

Mandadapu SR, Gunnam MR, Galasiti Kankanamalage AC, Uy RA, Alliston KR, Lushington GH, Kim Y, Chang KO, Groutas WC.

Bioorg Med Chem Lett. 2013 Nov 1;23(21):5941-4. doi: 10.1016/j.bmcl.2013.08.073. Epub 2013 Aug 22.

28.

Chemical informatics and the drug discovery knowledge pyramid.

Lushington GH, Dong Y, Theertham B.

Comb Chem High Throughput Screen. 2013 Dec;16(10):764-76.

29.

Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus.

Mandadapu SR, Weerawarna PM, Prior AM, Uy RA, Aravapalli S, Alliston KR, Lushington GH, Kim Y, Hua DH, Chang KO, Groutas WC.

Bioorg Med Chem Lett. 2013 Jul 1;23(13):3709-12. doi: 10.1016/j.bmcl.2013.05.021. Epub 2013 May 16.

30.

Lipidomic analysis of plant membrane lipids by direct infusion tandem mass spectrometry.

Shiva S, Vu HS, Roth MR, Zhou Z, Marepally SR, Nune DS, Lushington GH, Visvanathan M, Welti R.

Methods Mol Biol. 2013;1009:79-91. doi: 10.1007/978-1-62703-401-2_9.

PMID:
23681526
31.

Solution-phase parallel synthesis of a multisubstituted cyclic imidate library.

Mehta S, Waldo JP, Neuenswander B, Lushington GH, Larock RC.

ACS Comb Sci. 2013 May 13;15(5):247-54. doi: 10.1021/co3001605. Epub 2013 Apr 4.

32.

Solution-phase synthesis of a diverse library of benzisoxazoles utilizing the [3 + 2] cycloaddition of in situ-generated nitrile oxides and arynes.

Dubrovskiy AV, Jain P, Shi F, Lushington GH, Santini C, Porubsky P, Larock RC.

ACS Comb Sci. 2013 Apr 8;15(4):193-201. doi: 10.1021/co300159g. Epub 2013 Mar 8.

33.

Design, synthesis and characterization of novel 1,2-benzisothiazol-3(2H)-one and 1,3,4-oxadiazole hybrid derivatives: potent inhibitors of Dengue and West Nile virus NS2B/NS3 proteases.

Lai H, Dou D, Aravapalli S, Teramoto T, Lushington GH, Mwania TM, Alliston KR, Eichhorn DM, Padmanabhan R, Groutas WC.

Bioorg Med Chem. 2013 Jan 1;21(1):102-13. doi: 10.1016/j.bmc.2012.10.058. Epub 2012 Nov 15.

34.

Antitumor effects of synthetic 6,7-annulated-4-substituted indole compounds in L1210 leukemic cells in vitro.

Perchellet JP, Waters AM, Perchellet EM, Thornton PD, Brown N, Hill D, Neuenswander B, Lushington GH, Santini C, Chandrasoma N, Buszek KR.

Anticancer Res. 2012 Nov;32(11):4671-84.

35.

Exploring chemical diversity via a modular reaction pairing strategy.

Loh JK, Yoon SY, Samarakoon TB, Rolfe A, Porubsky P, Neuenswander B, Lushington GH, Hanson PR.

Beilstein J Org Chem. 2012;8:1293-302. Epub 2012 Aug 15.

36.

Automated synthesis of a library of triazolated 1,2,5-thiadiazepane 1,1-dioxides via a double aza-Michael strategy.

Zang Q, Javed S, Hill D, Ullah F, Bi D, Porubsky P, Neuenswander B, Lushington GH, Santini C, Organ MG, Hanson PR.

ACS Comb Sci. 2012 Aug 13;14(8):456-9. doi: 10.1021/co300049u. Epub 2012 Aug 1.

37.

Differentiating between models of epothilone binding to microtubules using tubulin mutagenesis, cytotoxicity, and molecular modeling.

Entwistle RA, Rizk RS, Cheng DM, Lushington GH, Himes RH, Gupta ML Jr.

ChemMedChem. 2012 Sep;7(9):1580-6. doi: 10.1002/cmdc.201200286. Epub 2012 Jul 16.

38.

Potent inhibition of norovirus 3CL protease by peptidyl α-ketoamides and α-ketoheterocycles.

Mandadapu SR, Weerawarna PM, Gunnam MR, Alliston KR, Lushington GH, Kim Y, Chang KO, Groutas WC.

Bioorg Med Chem Lett. 2012 Jul 15;22(14):4820-6. doi: 10.1016/j.bmcl.2012.05.055. Epub 2012 May 26.

39.

Inhibitors of Dengue virus and West Nile virus proteases based on the aminobenzamide scaffold.

Aravapalli S, Lai H, Teramoto T, Alliston KR, Lushington GH, Ferguson EL, Padmanabhan R, Groutas WC.

Bioorg Med Chem. 2012 Jul 1;20(13):4140-8. doi: 10.1016/j.bmc.2012.04.055. Epub 2012 May 10.

40.

Solution-phase synthesis of a highly substituted furan library.

Cho CH, Shi F, Jung DI, Neuenswander B, Lushington GH, Larock RC.

ACS Comb Sci. 2012 Jul 9;14(7):403-14. doi: 10.1021/co300040q. Epub 2012 Jun 11.

41.

Facile (triazolyl)methylation of MACOS-derived benzofused sultams utilizing ROMP-derived OTP reagents.

Faisal S, Ullah F, Maity PK, Rolfe A, Samarakoon TB, Porubsky P, Neuenswander B, Lushington GH, Basha FZ, Organ MG, Hanson PR.

ACS Comb Sci. 2012 Apr 9;14(4):268-72. doi: 10.1021/co2001839. Epub 2012 Mar 5.

42.

Synthesis of a unique isoindoline/tetrahydroisoquinoline-based tricyclic sultam library utilizing a Heck-aza-Michael strategy.

Zang Q, Javed S, Porubsky P, Ullah F, Neuenswander B, Lushington GH, Basha FZ, Organ MG, Hanson PR.

ACS Comb Sci. 2012 Mar 12;14(3):211-7. doi: 10.1021/co200181x. Epub 2012 Feb 6.

43.

Interactions of Bordetella pertussis adenylyl cyclase toxin CyaA with calmodulin mutants and calmodulin antagonists: comparison with membranous adenylyl cyclase I.

Schuler D, Lübker C, Lushington GH, Tang WJ, Shen Y, Richter M, Seifert R.

Biochem Pharmacol. 2012 Apr 1;83(7):839-848. doi: 10.1016/j.bcp.2012.01.005. Epub 2012 Jan 13.

44.

Inhibition of Dengue virus and West Nile virus proteases by click chemistry-derived benz[d]isothiazol-3(2H)-one derivatives.

Tiew KC, Dou D, Teramoto T, Lai H, Alliston KR, Lushington GH, Padmanabhan R, Groutas WC.

Bioorg Med Chem. 2012 Feb 1;20(3):1213-21. doi: 10.1016/j.bmc.2011.12.047. Epub 2011 Dec 30.

45.

Synthesis of an Isoindoline-Annulated, Tricyclic Sultam Library via Microwave-Assisted, Continuous-Flow Organic Synthesis (MACOS).

Ullah F, Zang Q, Javed S, Porubsky P, Neuenswander B, Lushington GH, Hanson PR, Organ MG.

Synthesis (Stuttg). 2012;44(16). doi: 10.1055/s-0031-1289791.

46.

Targeting of histone acetyltransferase p300 by cyclopentenone prostaglandin Δ(12)-PGJ(2) through covalent binding to Cys(1438).

Ravindra KC, Narayan V, Lushington GH, Peterson BR, Prabhu KS.

Chem Res Toxicol. 2012 Feb 20;25(2):337-47. doi: 10.1021/tx200383c. Epub 2011 Dec 16.

47.

Inhibitors of membranous adenylyl cyclases.

Seifert R, Lushington GH, Mou TC, Gille A, Sprang SR.

Trends Pharmacol Sci. 2012 Feb;33(2):64-78. doi: 10.1016/j.tips.2011.10.006. Epub 2011 Nov 17. Review.

48.

The BioAssay network and its implications to future therapeutic discovery.

Zhang J, Lushington GH, Huan J.

BMC Bioinformatics. 2011;12 Suppl 5:S1. doi: 10.1186/1471-2105-12-S5-S1. Epub 2011 Jul 27.

49.

Synthesis of amino-benzothiaoxazepine-1,1-dioxides utilizing a microwave-assisted, S(N)Ar protocol.

Rolfe A, Ullah F, Samarakoon TB, Kurtz RD, Porubsky P, Neuenswander B, Lushington GH, Santini C, Organ MG, Hanson PR.

ACS Comb Sci. 2011 Nov 14;13(6):653-8. doi: 10.1021/co200076j. Epub 2011 Sep 8.

50.

A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams.

Samarakoon TB, Loh JK, Rolfe A, Le LS, Yoon SY, Lushington GH, Hanson PR.

Org Lett. 2011 Oct 7;13(19):5148-51. doi: 10.1021/ol201962n. Epub 2011 Sep 7.

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