U.S. Department of Health and Human Services

Laboratory of Bioorganic Chemistry

Kenneth A. Jacobson, Ph.D., Chief


A selection of recent and significant publications can be viewed below.

Jain S, Ruiz de Azua I, Lu H, White MF, Guettier JM, Wess J. Chronic activation of a designer G(q)-coupled receptor improves β cell function.J. Clin. Invest. 2013 Apr 1; 123 (2013 Apr 1; 123; 4) :1750-62. [Full Text/Abstract]
Arteaga-Solis E, Zee T, Emala CW, Vinson C, Wess J, Karsenty G. Inhibition of leptin regulation of parasympathetic signaling as a cause of extreme body weight-associated asthma.Cell Metab. 2013 Jan 8; 17 (17; 1; 2013 Jan 8) :35-48. [Full Text/Abstract]
Micklitsch CM, Oquare BY, Zhao C, Appella DH. Cyclopentane-peptide nucleic acids for qualitative, quantitative, and repetitive detection of nucleic acids.Anal. Chem. 2013 Jan 2; 85 (85; 2013 Jan 2; 1) :251-7. [Full Text/Abstract]
Tosh DK, Paoletta S, Deflorian F, Phan K, Moss SM, Gao ZG, Jiang X, Jacobson KA. Structural sweet spot for A1 adenosine receptor activation by truncated (N)-methanocarba nucleosides: receptor docking and potent anticonvulsant activity.J. Med. Chem. 2012 Sep 27; 55 (2012 Sep 27; 55; 18) :8075-90. [Full Text/Abstract]
Jacobson KA, Costanzi S. New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors.Mol. Pharmacol. 2012 Sep; 82 (2012 Sep; 82; 3) :361-71. [Full Text/Abstract]
Shahzad-ul-Hussan S, Ghirlando R, Dogo-Isonagie CI, Igarashi Y, Balzarini J, Bewley CA. Characterization and carbohydrate specificity of pradimicin S.J. Am. Chem. Soc. 2012 Aug 1; 134 (30; 2012 Aug 1; 134) :12346-9. [Full Text/Abstract]
Jahouh F, Saksena R, Kováč P, Banoub J. Revealing the glycation sites in synthetic neoglycoconjugates formed by conjugation of the antigenic monosaccharide hapten of Vibrio cholerae O1, serotype Ogawa with the BSA protein carrier using LC-ESI-QqTOF-MS/MS.J Mass Spectrom. 2012 Jul; 47 (7; 2012 Jul; 47) :890-900. [Full Text/Abstract]
Tosh DK, Phan K, Gao ZG, Gakh AA, Xu F, Deflorian F, Abagyan R, Stevens RC, Jacobson KA, Katritch V. Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening.J. Med. Chem. 2012 May 10; 55 (55; 9; 2012 May 10) :4297-308. [Full Text/Abstract]
Chen Z, Janes K, Chen C, Doyle T, Bryant L, Tosh DK, Jacobson KA, Salvemini D. Controlling murine and rat chronic pain through A3 adenosine receptor activation.FASEB J. 2012 May; 26 (2012 May; 5; 26) :1855-65. [Full Text/Abstract]
Dogo-Isonagie C, Lam S, Gustchina E, Acharya P, Yang Y, Shahzad-ul-Hussan S, Clore GM, Kwong PD, Bewley CA. Peptides from second extracellular loop of C-C chemokine receptor type 5 (CCR5) inhibit diverse strains of HIV-1.J. Biol. Chem. 2012 Apr 27; 287 (287; 2012 Apr 27; 18) :15076-86. [Full Text/Abstract]
Tarique AA, Kalsy A, Arifuzzaman M, Rollins SM, Charles RC, Leung DT, Harris JB, Larocque RC, Sheikh A, Bhuiyan MS, Saksena R, Clements JD, Calderwood SB, Qadri F, Kovác P, Ryan ET. Transcutaneous immunization with a Vibrio cholerae O1 Ogawa synthetic hexasaccharide conjugate following oral whole-cell cholera vaccination boosts vibriocidal responses and induces protective immunity in mice.Clin Vaccine Immunol. 2012 Apr; 19 (19; 4; 2012 Apr) :594-602. [Full Text/Abstract]
Fishman P, Bar-Yehuda S, Liang BT, Jacobson KA. Pharmacological and therapeutic effects of A3 adenosine receptor agonists.Drug Discov. Today. 2012 Apr; 17 (17; 2012 Apr; 7-8) :359-66. [Full Text/Abstract]
Kumar S, Kellish P, Robinson WE Jr, Wang D, Appella DH, Arya DP. Click dimers to target HIV TAR RNA conformation.Biochemistry. 2012 Mar 20; 51 (2012 Mar 20; 51; 11) :2331-47. [Full Text/Abstract]
Kruse AC, Hu J, Pan AC, Arlow DH, Rosenbaum DM, Rosemond E, Green HF, Liu T, Chae PS, Dror RO, Shaw DE, Weis WI, Wess J, Kobilka BK. Structure and dynamics of the M3 muscarinic acetylcholine receptor.Nature. 2012 Feb 22; 482 (2012 Feb 22; 482; 7386) :552-6. [Full Text/Abstract]
Hu J, Thor D, Zhou Y, Liu T, Wang Y, McMillin SM, Mistry R, Challiss RA, Costanzi S, Wess J. Structural aspects of M₃ muscarinic acetylcholine receptor dimer formation and activation.FASEB J. 2012 Feb; 26 (2012 Feb; 2; 26) :604-16. [Full Text/Abstract]
Englund EA, Wang D, Fujigaki H, Sakai H, Micklitsch CM, Ghirlando R, Martin-Manso G, Pendrak ML, Roberts DD, Durell SR, Appella DH. Programmable multivalent display of receptor ligands using peptide nucleic acid nanoscaffolds.Nat Commun. 2012 Jan 10; 3 (2012 Jan 10; 3) :614. [Full Text/Abstract]
McLellan JS, Pancera M, Carrico C, Gorman J, Julien JP, Khayat R, Louder R, Pejchal R, Sastry M, Dai K, O'Dell S, Patel N, Shahzad-ul-Hussan S, Yang Y, Zhang B, Zhou T, Zhu J, Boyington JC, Chuang GY, Diwanji D, Georgiev I, Kwon YD, Lee D, Louder MK, Moquin S, Schmidt SD, Yang ZY, Bonsignori M, Crump JA, Kapiga SH, Sam NE, Haynes BF, Burton DR, Koff WC, Walker LM, Phogat S, Wyatt R, Orwenyo J, Wang LX, Arthos J, Bewley CA, Mascola JR, Nabel GJ, Schief WR, Ward AB, Wilson IA, Kwong PD. Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.Nature. 2011 Nov 23; 480 (2011 Nov 23; 480; 7377) :336-43. [Full Text/Abstract]
Acharya P, Dogo-Isonagie C, LaLonde JM, Lam SN, Leslie GJ, Louder MK, Frye LL, Debnath AK, Greenwood JR, Luongo TS, Martin L, Watts KS, Hoxie JA, Mascola JR, Bewley CA, Kwong PD. Structure-based identification and neutralization mechanism of tyrosine sulfate mimetics that inhibit HIV-1 entry.ACS Chem. Biol. 2011 Oct 21; 6 (6; 2011 Oct 21; 10) :1069-77. [Full Text/Abstract]
Xu P, Alam MM, Kalsy A, Charles RC, Calderwood SB, Qadri F, Ryan ET, Kováč P. Simple, direct conjugation of bacterial O-SP-core antigens to proteins: development of cholera conjugate vaccines.Bioconjug Chem. 2011 Oct 19; 22 (10; 2011 Oct 19; 22) :2179-85. [Full Text/Abstract]
Jahouh F, Hou SJ, Kováč P, Banoub JH. Determination of the glycation sites of Bacillus anthracis neoglycoconjugate vaccine by MALDI-TOF/TOF-CID-MS/MS and LC-ESI-QqTOF-tandem mass spectrometry.J Mass Spectrom. 2011 Oct; 46 (46; 2011 Oct; 10) :993-1003. [Full Text/Abstract]
Onyshchenko MI, Gaynutdinov TI, Englund EA, Appella DH, Neumann RD, Panyutin IG. Quadruplex formation is necessary for stable PNA invasion into duplex DNA of BCL2 promoter region.Nucleic Acids Res. 2011 Sep 1; 39 (16; 39; 2011 Sep 1) :7114-23. [Full Text/Abstract]
Bahde RJ, Appella DH, Trenkle WC. A one-pot preparation of N-2-mercaptobenzoyl-amino amides.Tetrahedron Lett. 2011 Aug 10; 52 (32; 2011 Aug 10; 52) :4103-4105. [Full Text/Abstract]
Kecskés A, Tosh DK, Wei Q, Gao ZG, Jacobson KA. GPCR ligand dendrimer (GLiDe) conjugates: adenosine receptor interactions of a series of multivalent xanthine antagonists.Bioconjug. Chem. 2011 Jun 15; 22 (6; 2011 Jun 15; 22) :1115-27. [Full Text/Abstract]
Shahzad-ul-Hussan S, Gustchina E, Ghirlando R, Clore GM, Bewley CA. Solution structure of the monovalent lectin microvirin in complex with Man(alpha)(1-2)Man provides a basis for anti-HIV activity with low toxicity.J. Biol. Chem. 2011 Jun 10; 286 (2011 Jun 10; 23; 286) :20788-96. [Full Text/Abstract]
Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC. Structure of an agonist-bound human A2A adenosine receptor.Science. 2011 Apr 15; 332 (6027; 2011 Apr 15; 332) :322-7. [Full Text/Abstract]
Macadangdang B, Zhang N, Lund PE, Marple AH, Okabe M, Gottesman MM, Appella DH, Kimchi-Sarfaty C. Inhibition of multidrug resistance by SV40 pseudovirion delivery of an antigene peptide nucleic acid (PNA) in cultured cells.PLoS ONE. 2011 Mar 22; 6 (6; 2011 Mar 22; 3) :e17981. [Full Text/Abstract]
Ruiz de Azua I, Gautam D, Guettier JM, Wess J. Novel insights into the function of β-cell M3 muscarinic acetylcholine receptors: therapeutic implications.Trends Endocrinol. Metab. 2011 Feb; 22 (2; 2011 Feb; 22) :74-80. [Full Text/Abstract]
Plaza A, Keffer JL, Bifulco G, Lloyd JR, Bewley CA. Chrysophaentins A-H, antibacterial bisdiarylbutene macrocycles that inhibit the bacterial cell division protein FtsZ.J. Am. Chem. Soc. 2010 Jul 7; 132 (2010 Jul 7; 132; 26) :9069-77. [Full Text/Abstract]
Hu J, Wang Y, Zhang X, Lloyd JR, Li JH, Karpiak J, Costanzi S, Wess J. Structural basis of G protein-coupled receptor-G protein interactions.Nat. Chem. Biol. 2010 Jul; 6 (6; 7; 2010 Jul) :541-8. [Full Text/Abstract]
Jacobson KA, Boeynaems JM. P2Y nucleotide receptors: promise of therapeutic applications.Drug Discov. Today. 2010 Jul; 15 (2010 Jul; 15; 13-14) :570-8. [Full Text/Abstract]