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Items: 22

1.

Can We Make Small Molecules Lean? Optimization of a Highly Lipophilic TarO Inhibitor.

Mandal M, Tan Z, Madsen-Duggan C, Buevich AV, Caldwell JP, Dejesus R, Flattery A, Garlisi CG, Gill C, Ha SN, Ho G, Koseoglu S, Labroli M, Basu K, Lee SH, Liang L, Liu J, Mayhood T, McGuinness D, McLaren DG, Wen X, Parmee E, Rindgen D, Roemer T, Sheth P, Tawa P, Tata J, Yang C, Yang SW, Xiao L, Wang H, Tan C, Tang H, Walsh P, Walsh E, Wu J, Su J.

J Med Chem. 2017 May 11;60(9):3851-3865. doi: 10.1021/acs.jmedchem.7b00113. Epub 2017 Mar 29.

PMID:
28322556
2.

Investigation of piperazine benzamides as human β3 adrenergic receptor agonists for the treatment of overactive bladder.

Harper BH, Wang L, Zhu C, Kar NF, Li B, Moyes CR, Goble SD, Costa M, Dingley K, Di Salvo J, Ha SN, Hurley A, Li X, Miller RR, Nagabukuro H, Salituro GM, Smith S, Struthers M, Hale JJ, Edmondson SD, Berger R.

Bioorg Med Chem Lett. 2017 Feb 15;27(4):1094-1098. doi: 10.1016/j.bmcl.2016.12.033. Epub 2016 Dec 11.

PMID:
28089699
3.

Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX.

Morrone JA, Perez A, Deng Q, Ha SN, Holloway MK, Sawyer TK, Sherborne BS, Brown FK, Dill KA.

J Chem Theory Comput. 2017 Feb 14;13(2):863-869. doi: 10.1021/acs.jctc.6b00978. Epub 2017 Jan 19.

PMID:
28042965
4.

Discovery of benzamides as potent human β3 adrenergic receptor agonists.

Zhu C, Kar NF, Li B, Costa M, Dingley KH, Di Salvo J, Ha SN, Hurley AL, Li X, Miller RR, Salituro GM, Struthers M, Weber AE, Hale JJ, Edmondson SD.

Bioorg Med Chem Lett. 2016 Jan 1;26(1):55-9. doi: 10.1016/j.bmcl.2015.11.030. Epub 2015 Nov 11.

PMID:
26590100
5.

Effective Anti-aging Strategies in an Era of Super-aging.

Park S, Yang MJ, Ha SN, Lee JS.

J Menopausal Med. 2014 Dec;20(3):85-9. doi: 10.6118/jmm.2014.20.3.85. Epub 2014 Dec 24. Review.

6.

Platensimycin and platencin congeners from Streptomyces platensis.

Zhang C, Ondeyka J, Herath K, Jayasuriya H, Guan Z, Zink DL, Dietrich L, Burgess B, Ha SN, Wang J, Singh SB.

J Nat Prod. 2011 Mar 25;74(3):329-40. doi: 10.1021/np100635f. Epub 2011 Jan 7.

PMID:
21214253
7.

Isolation, structure and biological activities of platencin A(2)-A(4) from Streptomyces platensis.

Zhang C, Ondeyka J, Dietrich L, Gailliot FP, Hesse M, Lester M, Dorso K, Motyl M, Ha SN, Wang J, Singh SB.

Bioorg Med Chem. 2010 Apr 1;18(7):2602-10. doi: 10.1016/j.bmc.2010.02.030. Epub 2010 Feb 23.

PMID:
20299229
8.

Synthesis and evaluation of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-aminopropanamide as human cannabinoid-1 receptor (CB1R) inverse agonists.

Du W, Jewell JP, Lin LS, Colandrea VJ, Xiao JC, Lao J, Shen CP, Bateman TJ, Reddy VB, Ha SN, Shah SK, Fong TM, Hale JJ, Hagmann WK.

Bioorg Med Chem Lett. 2009 Sep 1;19(17):5195-9. doi: 10.1016/j.bmcl.2009.07.046. Epub 2009 Jul 24.

PMID:
19632830
9.

Synthesis and biological evaluation of platensimycin analogs.

Shen HC, Ding FX, Singh SB, Parthasarathy G, Soisson SM, Ha SN, Chen X, Kodali S, Wang J, Dorso K, Tata JR, Hammond ML, Maccoss M, Colletti SL.

Bioorg Med Chem Lett. 2009 Mar 15;19(6):1623-7. doi: 10.1016/j.bmcl.2009.02.006. Epub 2009 Feb 7.

PMID:
19233644
10.

Mini review on molecular modeling of P-glycoprotein (Pgp).

Ha SN, Hochman J, Sheridan RP.

Curr Top Med Chem. 2007;7(15):1525-9. Review.

PMID:
17897039
11.

Challenges in the development of mGluR5 positive allosteric modulators: the discovery of CPPHA.

Zhao Z, Wisnoski DD, O'Brien JA, Lemaire W, Williams DL Jr, Jacobson MA, Wittman M, Ha SN, Schaffhauser H, Sur C, Pettibone DJ, Duggan ME, Conn PJ, Hartman GD, Lindsley CW.

Bioorg Med Chem Lett. 2007 Mar 1;17(5):1386-91. Epub 2006 Dec 3.

PMID:
17210250
12.

Identification of the critical residues of bradykinin receptor B1 for interaction with the kinins guided by site-directed mutagenesis and molecular modeling.

Ha SN, Hey PJ, Ransom RW, Bock MG, Su DS, Murphy KL, Chang R, Chen TB, Pettibone D, Hess JF.

Biochemistry. 2006 Dec 5;45(48):14355-61.

PMID:
17128974
13.

Binding modes of dihydroquinoxalinones in a homology model of bradykinin receptor 1.

Ha SN, Hey PJ, Ransom RW, Harrell CM Jr, Murphy KL, Chang R, Chen TB, Su DS, Markowitz MK, Bock MG, Freidinger RM, Hess FJ.

Biochem Biophys Res Commun. 2005 May 27;331(1):159-66.

PMID:
15845373
14.
15.

Potent Kv1.3 inhibitors from correolide-modification of the C18 position.

Bao J, Miao S, Kayser F, Kotliar AJ, Baker RK, Doss GA, Felix JP, Bugianesi RM, Slaughter RS, Kaczorowski GJ, Garcia ML, Ha SN, Castonguay L, Koo GC, Shah K, Springer MS, Staruch MJ, Parsons WH, Rupprecht KM.

Bioorg Med Chem Lett. 2005 Jan 17;15(2):447-51.

PMID:
15603971
16.

Nodulisporic acids D-F: structure, biological activities, and biogenetic relationships.

Singh SB, Ondeyka JG, Jayasuriya H, Zink DL, Ha SN, Dahl-Roshak A, Greene J, Kim JA, Smith MM, Shoop W, Tkacz JS.

J Nat Prod. 2004 Sep;67(9):1496-506.

PMID:
15387649
17.

A novel selective allosteric modulator potentiates the activity of native metabotropic glutamate receptor subtype 5 in rat forebrain.

O'Brien JA, Lemaire W, Wittmann M, Jacobson MA, Ha SN, Wisnoski DD, Lindsley CW, Schaffhauser HJ, Rowe B, Sur C, Duggan ME, Pettibone DJ, Conn PJ, Williams DL Jr.

J Pharmacol Exp Ther. 2004 May;309(2):568-77. Epub 2004 Jan 27.

PMID:
14747613
18.

Difference in mGluR5 interaction between positive allosteric modulators from two structural classes.

Williams DL Jr, O'Brien JA, Lemaire W, Chen TB, Chang RS, Jacobson MA, Ha SN, Wisnoski DD, Lindsley CW, Sur C, Duggan ME, Pettibone DJ, Conn PJ.

Ann N Y Acad Sci. 2003 Nov;1003:481-4. No abstract available.

PMID:
14684495
19.

A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5.

O'Brien JA, Lemaire W, Chen TB, Chang RS, Jacobson MA, Ha SN, Lindsley CW, Schaffhauser HJ, Sur C, Pettibone DJ, Conn PJ, Williams DL Jr.

Mol Pharmacol. 2003 Sep;64(3):731-40.

PMID:
12920211
20.

Molecular dynamics simulation of the aqueous solvation of sugars.

Brady JW, Ha SN.

Adv Exp Med Biol. 1991;302:739-51. Review.

PMID:
1746361
21.

Conformational analysis and molecular dynamics simulations of maltose.

Ha SN, Madsen LJ, Brady JW.

Biopolymers. 1988 Dec;27(12):1927-52. No abstract available.

PMID:
3240360
22.

A revised potential-energy surface for molecular mechanics studies of carbohydrates.

Ha SN, Giammona A, Field M, Brady JW.

Carbohydr Res. 1988 Sep 15;180(2):207-21.

PMID:
3203342

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