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Items: 47

1.

Hypocretin receptor 1 involvement in cocaine-associated behavior: Therapeutic potential and novel mechanistic insights.

Brodnik ZD, Alonso IP, Xu W, Zhang Y, Kortagere S, España RA.

Brain Res. 2018 Jul 30. pii: S0006-8993(18)30410-4. doi: 10.1016/j.brainres.2018.07.027. [Epub ahead of print] Review.

PMID:
30071195
2.

Methylindoles and Methoxyindoles are Agonists and Antagonists of Human Aryl Hydrocarbon Receptor.

Stepankova M, Bartonkova I, Jiskrova E, Vrzal R, Mani S, Kortagere S, Dvorak Z.

Mol Pharmacol. 2018 Jun;93(6):631-644. doi: 10.1124/mol.118.112151. Epub 2018 Apr 6.

PMID:
29626056
3.

Limitations of the rat medial forebrain lesion model to study prefrontal cortex mediated cognitive tasks in Parkinson's disease.

Marshall CA, King KM, Kortagere S.

Brain Res. 2018 Mar 30. pii: S0006-8993(18)30178-1. doi: 10.1016/j.brainres.2018.03.035. [Epub ahead of print]

PMID:
29608880
4.

Novel Molecules To Treat Chronic Central Nervous System Toxoplasmosis.

Kortagere S.

J Med Chem. 2017 Dec 28;60(24):9974-9975. doi: 10.1021/acs.jmedchem.7b01663. Epub 2017 Dec 4.

PMID:
29200288
5.

Identification of Novel Allosteric Modulators of Glutamate Transporter EAAT2.

Kortagere S, Mortensen OV, Xia J, Lester W, Fang Y, Srikanth Y, Salvino JM, Fontana ACK.

ACS Chem Neurosci. 2018 Mar 21;9(3):522-534. doi: 10.1021/acschemneuro.7b00308. Epub 2017 Nov 30.

PMID:
29140675
6.

Rosuvastatin and Atorvastatin Are Ligands of the Human Constitutive Androstane Receptor/Retinoid X Receptor α Complex.

Režen T, Hafner M, Kortagere S, Ekins S, Hodnik V, Rozman D.

Drug Metab Dispos. 2017 Aug;45(8):974-976. doi: 10.1124/dmd.117.075523. Epub 2017 May 23.

7.

Olefin Isomers of a Triazole Bisphosphonate Synergistically Inhibit Geranylgeranyl Diphosphate Synthase.

Allen C, Kortagere S, Tong H, Matthiesen RA, Metzger JI, Wiemer DF, Holstein SA.

Mol Pharmacol. 2017 Mar;91(3):229-236. doi: 10.1124/mol.116.107326. Epub 2017 Jan 5.

8.

Functional Characterization of a Novel Series of Biased Signaling Dopamine D3 Receptor Agonists.

Xu W, Wang X, Tocker AM, Huang P, Reith ME, Liu-Chen LY, Smith AB 3rd, Kortagere S.

ACS Chem Neurosci. 2017 Mar 15;8(3):486-500. doi: 10.1021/acschemneuro.6b00221. Epub 2016 Nov 23.

9.

Acetylation of lysine 109 modulates pregnane X receptor DNA binding and transcriptional activity.

Pasquel D, Doricakova A, Li H, Kortagere S, Krasowski MD, Biswas A, Walton WG, Redinbo MR, Dvorak Z, Mani S.

Biochim Biophys Acta. 2016 Sep;1859(9):1155-1169. doi: 10.1016/j.bbagrm.2016.01.006. Epub 2016 Feb 23.

10.

Designing modulators of monoamine transporters using virtual screening techniques.

Mortensen OV, Kortagere S.

Front Pharmacol. 2015 Sep 29;6:223. doi: 10.3389/fphar.2015.00223. eCollection 2015. Review.

11.

In vivo characterization of a novel dopamine D3 receptor agonist to treat motor symptoms of Parkinson's disease.

Simms SL, Huettner DP, Kortagere S.

Neuropharmacology. 2016 Jan;100:106-15. doi: 10.1016/j.neuropharm.2015.04.004. Epub 2015 Apr 18.

PMID:
25896768
12.

Pyrazoleamide compounds are potent antimalarials that target Na+ homeostasis in intraerythrocytic Plasmodium falciparum.

Vaidya AB, Morrisey JM, Zhang Z, Das S, Daly TM, Otto TD, Spillman NJ, Wyvratt M, Siegl P, Marfurt J, Wirjanata G, Sebayang BF, Price RN, Chatterjee A, Nagle A, Stasiak M, Charman SA, Angulo-Barturen I, Ferrer S, Belén Jiménez-Díaz M, Martínez MS, Gamo FJ, Avery VM, Ruecker A, Delves M, Kirk K, Berriman M, Kortagere S, Burrows J, Fan E, Bergman LW.

Nat Commun. 2014 Nov 25;5:5521. doi: 10.1038/ncomms6521.

13.

Structure-activity relationships of a novel capsid targeted inhibitor of HIV-1 replication.

Kortagere S, Xu JP, Mankowski MK, Ptak RG, Cocklin S.

J Chem Inf Model. 2014 Nov 24;54(11):3080-90. doi: 10.1021/ci500437r. Epub 2014 Oct 28.

14.

Symbiotic bacterial metabolites regulate gastrointestinal barrier function via the xenobiotic sensor PXR and Toll-like receptor 4.

Venkatesh M, Mukherjee S, Wang H, Li H, Sun K, Benechet AP, Qiu Z, Maher L, Redinbo MR, Phillips RS, Fleet JC, Kortagere S, Mukherjee P, Fasano A, Le Ven J, Nicholson JK, Dumas ME, Khanna KM, Mani S.

Immunity. 2014 Aug 21;41(2):296-310. doi: 10.1016/j.immuni.2014.06.014. Epub 2014 Jul 24.

15.

Plant flavonol isorhamnetin attenuates chemically induced inflammatory bowel disease via a PXR-dependent pathway.

Dou W, Zhang J, Li H, Kortagere S, Sun K, Ding L, Ren G, Wang Z, Mani S.

J Nutr Biochem. 2014 Sep;25(9):923-33. doi: 10.1016/j.jnutbio.2014.04.006. Epub 2014 May 9.

16.

Plasmodium dipeptidyl aminopeptidases as malaria transmission-blocking drug targets.

Tanaka TQ, Deu E, Molina-Cruz A, Ashburne MJ, Ali O, Suri A, Kortagere S, Bogyo M, Williamson KC.

Antimicrob Agents Chemother. 2013 Oct;57(10):4645-52. doi: 10.1128/AAC.02495-12. Epub 2013 Jul 8.

17.

Identification of an allosteric modulator of the serotonin transporter with novel mechanism of action.

Kortagere S, Fontana AC, Rose DR, Mortensen OV.

Neuropharmacology. 2013 Sep;72:282-90. doi: 10.1016/j.neuropharm.2013.04.026. Epub 2013 Apr 28.

PMID:
23632081
18.

An amino acid residue in the second extracellular loop determines the agonist-dependent tolerance property of the human D3 dopamine receptor.

Gil-Mast S, Kortagere S, Kota K, Kuzhikandathil EV.

ACS Chem Neurosci. 2013 Jun 19;4(6):940-51. doi: 10.1021/cn3002202. Epub 2013 Mar 21.

19.

Ligand- and structure-based pregnane X receptor models.

Kortagere S, Krasowski MD, Ekins S.

Methods Mol Biol. 2012;929:359-75. Review.

PMID:
23007437
20.

Role of computational methods in pharmaceutical sciences.

Kortagere S, Lill M, Kerrigan J.

Methods Mol Biol. 2012;929:21-48. Review.

PMID:
23007425
21.

Screening for small molecule inhibitors of Toxoplasma gondii.

Kortagere S.

Expert Opin Drug Discov. 2012 Dec;7(12):1193-206. doi: 10.1517/17460441.2012.729036. Epub 2012 Sep 24. Review.

PMID:
22998671
22.

Impact of Tat Genetic Variation on HIV-1 Disease.

Li L, Dahiya S, Kortagere S, Aiamkitsumrit B, Cunningham D, Pirrone V, Nonnemacher MR, Wigdahl B.

Adv Virol. 2012;2012:123605. doi: 10.1155/2012/123605. Epub 2012 Jul 30.

23.

Applications and limitations of in silico models in drug discovery.

Sacan A, Ekins S, Kortagere S.

Methods Mol Biol. 2012;910:87-124. doi: 10.1007/978-1-61779-965-5_6. Review.

PMID:
22821594
24.

Alleviation of gut inflammation by Cdx2/Pxr pathway in a mouse model of chemical colitis.

Dou W, Mukherjee S, Li H, Venkatesh M, Wang H, Kortagere S, Peleg A, Chilimuri SS, Wang ZT, Feng Y, Fearon ER, Mani S.

PLoS One. 2012;7(7):e36075. doi: 10.1371/journal.pone.0036075. Epub 2012 Jul 16.

25.

Inhibiting early-stage events in HIV-1 replication by small-molecule targeting of the HIV-1 capsid.

Kortagere S, Madani N, Mankowski MK, Schön A, Zentner I, Swaminathan G, Princiotto A, Anthony K, Oza A, Sierra LJ, Passic SR, Wang X, Jones DM, Stavale E, Krebs FC, Martín-García J, Freire E, Ptak RG, Sodroski J, Cocklin S, Smith AB 3rd.

J Virol. 2012 Aug;86(16):8472-81. doi: 10.1128/JVI.05006-11. Epub 2012 May 30.

26.

Identification and characterization of a novel class of atypical dopamine receptor agonists.

Kuzhikandathil EV, Kortagere S.

Pharm Res. 2012 Aug;29(8):2264-75. doi: 10.1007/s11095-012-0754-0. Epub 2012 May 1.

PMID:
22547031
27.

Histone deacetylase activity is necessary for left-right patterning during vertebrate development.

Carneiro K, Donnet C, Rejtar T, Karger BL, Barisone GA, Díaz E, Kortagere S, Lemire JM, Levin M.

BMC Dev Biol. 2011 May 20;11:29. doi: 10.1186/1471-213X-11-29.

28.

Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach.

Kortagere S, Mui E, McLeod R, Welsh WJ.

J Comput Aided Mol Des. 2011 May;25(5):403-11. doi: 10.1007/s10822-011-9420-6. Epub 2011 Feb 26.

PMID:
21359560
29.

Interaction of novel hybrid compounds with the D3 dopamine receptor: Site-directed mutagenesis and homology modeling studies.

Kortagere S, Cheng SY, Antonio T, Zhen J, Reith ME, Dutta AK.

Biochem Pharmacol. 2011 Jan 1;81(1):157-63. doi: 10.1016/j.bcp.2010.08.026. Epub 2010 Sep 15.

30.

Evaluation of computational docking to identify pregnane X receptor agonists in the ToxCast database.

Kortagere S, Krasowski MD, Reschly EJ, Venkatesh M, Mani S, Ekins S.

Environ Health Perspect. 2010 Oct;118(10):1412-7. doi: 10.1289/ehp.1001930. Epub 2010 Jun 17.

31.

Structure-based design of novel small-molecule inhibitors of Plasmodium falciparum.

Kortagere S, Welsh WJ, Morrisey JM, Daly T, Ejigiri I, Sinnis P, Vaidya AB, Bergman LW.

J Chem Inf Model. 2010 May 24;50(5):840-9. doi: 10.1021/ci100039k.

32.

Troubleshooting computational methods in drug discovery.

Kortagere S, Ekins S.

J Pharmacol Toxicol Methods. 2010 Mar-Apr;61(2):67-75. doi: 10.1016/j.vascn.2010.02.005. Epub 2010 Feb 20. Review.

PMID:
20176118
33.

Challenges predicting ligand-receptor interactions of promiscuous proteins: the nuclear receptor PXR.

Ekins S, Kortagere S, Iyer M, Reschly EJ, Lill MA, Redinbo MR, Krasowski MD.

PLoS Comput Biol. 2009 Dec;5(12):e1000594. doi: 10.1371/journal.pcbi.1000594. Epub 2009 Dec 11.

34.

Development of tolerance in D3 dopamine receptor signaling is accompanied by distinct changes in receptor conformation.

Westrich L, Gil-Mast S, Kortagere S, Kuzhikandathil EV.

Biochem Pharmacol. 2010 Mar 15;79(6):897-907. doi: 10.1016/j.bcp.2009.10.016. Epub 2009 Oct 29.

PMID:
19879251
35.

Novel delta opioid receptor agonists exhibit differential stimulation of signaling pathways.

Peng Y, Zhang Q, Arora S, Keenan SM, Kortagere S, Wannemacher KM, Howells RD, Welsh WJ.

Bioorg Med Chem. 2009 Sep 1;17(17):6442-50. doi: 10.1016/j.bmc.2009.07.007. Epub 2009 Jul 9.

PMID:
19646882
36.

Quaternary benzyltriethylammonium ion binding to the Na,K-ATPase: a tool to investigate extracellular K+ binding reactions.

Peluffo RD, González-Lebrero RM, Kaufman SB, Kortagere S, Orban B, Rossi RC, Berlin JR.

Biochemistry. 2009 Sep 1;48(34):8105-19. doi: 10.1021/bi900687u.

37.

Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors.

Chekmarev D, Kholodovych V, Kortagere S, Welsh WJ, Ekins S.

Pharm Res. 2009 Sep;26(9):2216-24. doi: 10.1007/s11095-009-9937-8. Epub 2009 Jul 15.

PMID:
19603258
38.

Structure-activity relations of nanolipoblockers with the atherogenic domain of human macrophage scavenger receptor A.

Plourde NM, Kortagere S, Welsh W, Moghe PV.

Biomacromolecules. 2009 Jun 8;10(6):1381-91. doi: 10.1021/bm8014522.

39.

The importance of discerning shape in molecular pharmacology.

Kortagere S, Krasowski MD, Ekins S.

Trends Pharmacol Sci. 2009 Mar;30(3):138-47. doi: 10.1016/j.tips.2008.12.001. Epub 2009 Jan 31. Review.

40.

Hybrid scoring and classification approaches to predict human pregnane X receptor activators.

Kortagere S, Chekmarev D, Welsh WJ, Ekins S.

Pharm Res. 2009 Apr;26(4):1001-11. doi: 10.1007/s11095-008-9809-7. Epub 2008 Dec 30.

41.

Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships.

Kortagere S, Ekins S, Welsh WJ.

J Mol Graph Model. 2008 Sep;27(2):170-7. doi: 10.1016/j.jmgm.2008.04.001. Epub 2008 Apr 10.

PMID:
18524655
42.

New predictive models for blood-brain barrier permeability of drug-like molecules.

Kortagere S, Chekmarev D, Welsh WJ, Ekins S.

Pharm Res. 2008 Aug;25(8):1836-45. doi: 10.1007/s11095-008-9584-5. Epub 2008 Apr 16.

43.
44.

Ab initio computational modeling of long loops in G-protein coupled receptors.

Kortagere S, Roy A, Mehler EL.

J Comput Aided Mol Des. 2006 Jul-Aug;20(7-8):427-36. Epub 2006 Sep 14.

PMID:
16972169
45.

Ab initio computational modeling of loops in G-protein-coupled receptors: lessons from the crystal structure of rhodopsin.

Mehler EL, Hassan SA, Kortagere S, Weinstein H.

Proteins. 2006 Aug 15;64(3):673-90.

PMID:
16729264
47.

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