TECHNICAL PROGRAM - American Chemical Society Publications
TECHNICAL PROGRAM - American Chemical Society Publications
TECHNICAL PROGRAM - American Chemical Society Publications
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232. Bisphosphonate analogs of geranyl and<br />
farnesyl pyrophosphate as potential inhibitors<br />
of prenyl synthases.<br />
M. A. Maalouf, B. M. Wasko, R. J. Hohl,<br />
D. F. Wiemer<br />
233. Design and synthesis of folate conjugates<br />
of Rapamycin and Everolimus.<br />
I. R. Vlahov, P. J. Kleindl,<br />
H. R. Santhapuram, J. F. Vaughn,<br />
S. J. Han, F. You, Y. Wang, C. P. Leamon<br />
234. Discovery of TAK-438: Synthesis and<br />
biological evaluation of novel pyrrole derivatives<br />
as potassium-competitive acid<br />
blockers (P-CABs). Y. Arikawa,<br />
H. Nishida, A. Hasuoka, O. Kurasawa,<br />
K. Hirase, N. Inatomi, Y. Hori,<br />
J. Matsukawa, N. Tarui, A. Imanishi,<br />
M. Kondo, Y. N. Imai, M. Kajino<br />
235. Series of non-covalent inhibitors of the<br />
human 20S Proteasome derived from<br />
N-�-neopentyl asparagine with unprecedented<br />
potency and selectivity.<br />
C. Blackburn, C. Barrett, N. Bump,<br />
F. Bruzzese, L. Dick, P. Fleming,<br />
K. Garcia, K. Gigstad, P. Hales,<br />
L. Herman, M. Jones, J. Liu, D. Sappal,<br />
M. Sintchak, C. Tsu, J. Blank<br />
236. Total synthesis of racemic and natural<br />
glyceollin II. A. Luniwal, P. W. Erhardt<br />
237. Genomics guided medicinal chemistry.<br />
E. Beausoleil, T. Taverne,<br />
C. Chauvignac, B. Leblond, D. Pallares,<br />
M. Brenner, M. Pando<br />
238. De-convolution of medicinal citrus<br />
products. S. Li,N.E.Rawson,C.Ho<br />
239. Utilization of DNA-encoded libraries for<br />
the identification of novel inhibitors of<br />
prolyl hydroxylases. D. T. Fosbenner,<br />
B. W. King, K. K. Brown, P. Keller,<br />
K. McKenzie, B. Siegfried, L. Mitchell,<br />
A. Smallwood, N. Concha, L. Miller,<br />
Y. Xue, G. J. Franklin, P. A. Centrella,<br />
J. Svendsen, S. Mataruse, M. A. Clark<br />
240. Oxyphors R3 and G3 — new phosphorescent<br />
probes for tissue oxygen measurements:<br />
Synthesis and characterization.<br />
T. V. Esipova, S. A. Vinogradov<br />
241. Synthesis of rosmarinic acid analogs.<br />
G. A. Kraus, G. R. Pollock III<br />
242. Overexpression, isolation, and oral delivery<br />
of the appetite suppressant peptide<br />
PYY. C. H. Fazen,R.P.Doyle<br />
243. Using haptocorrin and intrinsic factor as<br />
oral delivery agents. D. Valentin,<br />
R. P. Doyle<br />
244. Benzo[d]imidazole/indole inhibitors of<br />
coactivator associated arginine methyltransferase<br />
1 (CARM1). H. Wan,<br />
T. Huynh, S. Pang, J. Geng, T. Bandiera,<br />
S. Bindi, P. Vianello, F. Roletto,<br />
S. Thieffine, A. Galvani, W. Vaccaro,<br />
M. A. Poss, G. L. Trainor, M. V. Lorenzi,<br />
M. Gottardis, L. Jayaraman,<br />
A. V. Purandare<br />
MONDAY MORNING<br />
Section A<br />
Boston Convention & Exhibition Center<br />
Ballroom West<br />
G-Quadruplexes as Targets for Drug<br />
Discovery and Development<br />
L. Hurley, D. Yang, Organizers, Presiding<br />
8:30 245. Quadruplex nucleic acids as functional<br />
elements and therapeutic targets.<br />
S. Balasubramanian<br />
9:10 246. Overview of G-quadruplexes, their<br />
biological role, and G-quadruplex structures.<br />
D. Yang<br />
9:50 247. Structure-based design and evaluation<br />
of small molecules with selectivity<br />
for telomeric quadruplex nucleic acids.<br />
M. Gunaratnam, S. Hempel, G. Collie,<br />
S. Sparapani, N. Campbell, G. Parkinson,<br />
M. de la Fuente, A. Schatzlein, S. Neidle<br />
10:30 248. Drug targeting of the c-Myc<br />
G-quadruplex and associated proteins to<br />
inhibit gene transcription. L. H. Hurley<br />
Section B<br />
Boston Convention & Exhibition Center<br />
Room 253A/B<br />
Effects of Free Drug on In Vivo Efficacy<br />
J. Butera, Organizer<br />
L. Di, E. Kerns, Organizers, Presiding<br />
8:30 249. Free fraction, free drug concentration<br />
and in vitro to in vivo extrapolation-no<br />
common consensus on a common<br />
problem. D. A. Smith<br />
9:05 250. Considerations of protein binding<br />
in CNS drug design. X. Liu,C.E.Hop<br />
9:40 251. Determinants of drug disposition<br />
in tumors. J. M. Gallo<br />
10:15 252. Managing plasma protein binding.<br />
G. L. Trainor<br />
10:50 253. Changes in protein binding:<br />
When can they be clinically relevant?<br />
L. Z. Benet<br />
11:25 Panel Discussion<br />
Open-source Drug Discovery Sponsored by<br />
BMGT, Cosponsored by CPCD, MEDI, and<br />
NESACS<br />
Tautomers and Biology<br />
Predictions of Tautomer Ratios Sponsored<br />
by COMP, Cosponsored by CINF, MEDI, and<br />
PHYS<br />
The Community Structure-Activity<br />
Resource (CSAR) Scoring Challenge<br />
Sponsored by COMP, Cosponsored by BIOL,<br />
CINF, and MEDI<br />
MONDAY AFTERNOON<br />
Section A<br />
Boston Convention & Exhibition Center<br />
Ballroom West<br />
Recent Developments in Investigational<br />
Therapies for HCV<br />
A. Palani, A. Arasappan, A. Stamford,<br />
W. Kazmierski, Organizers, Presiding<br />
2:00 254. Discovery of telaprevir. A. Grillot<br />
2:30 255. Novel noncovalent inhibitors of<br />
the HCV serine protease. P. J. Edwards,<br />
M. D. Bailey, P. K. Bhardwaj, M. Bös,<br />
M. G. Cordingley, P. Forgione,<br />
N. Goudreau, C. Lemke, P. W. White,<br />
M. Llinàs-Brunet<br />
3:00 256. Discovery of potent HCV inhibitors<br />
targeting the NS5A protein. M. Belema,<br />
V. N. Nguyen, J. L. Romine,<br />
D. R. St. Laurent, M. H. Serrano-Wu,<br />
L. B. Snyder, M. S. Deshpande,<br />
R. A. Fridell, D. R. O’Boyle II, J. A. Lemm,<br />
J. E. Leet, J. O. Knipe, D. R. Langley,<br />
R. E. Nettles, C. Chien, R. J. Colonno,<br />
D. M. Grasela, N. A. Meanwell,<br />
L. G. Hamann, M. Gao<br />
3:30 257. HCV NS4A antagonists.<br />
A. Phadke, X. Wang, D. Chen,<br />
V. Gadhachanda, A. Hashimoto,<br />
M. Deshpande, M. Huang<br />
4:00 258. Benzofuran inhibitors of HCV<br />
NS5b polymerase: An in-depth look at<br />
SAR and pre-clinical characteristics that<br />
let to the advancement of HCV-796 into<br />
human clinical studies. A. K. Saha<br />
4:30 259. Discovery and development of 2�-<br />
F-2�-C-methyl nucleosides and nucleotides<br />
for the treatment of HCV.<br />
M. J. Sofia<br />
Section B<br />
Boston Convention & Exhibition Center<br />
Room 253A/B<br />
Drugging the Undruggable: Small Molecule<br />
Modulators of Protein-Protein Interactions<br />
D. Hertzog, E. Velthuisen, Organizers,<br />
Presiding<br />
2:00 260. Principles of protein-protein interactions:<br />
What is the preferred way for<br />
proteins to interact? R. Nussinov<br />
2:30 261. Synthesis and evaluation of libraries<br />
designed to modulate protein-protein<br />
and protein-DNA interactions.<br />
D. L. Boger<br />
3:00 262. Protein-protein interaction inhibitors<br />
of transcription factors and kinases.<br />
T. Berg<br />
3:30 263. Drugging the undruggable using<br />
stapled peptides. G. L. Verdine<br />
4:00 264. Small molecule inhibitors of protein-protein<br />
interactions: Targeting Bcl-2<br />
family proteins to treat cancer.<br />
S. W. Elmore<br />
Open-source Drug Discovery Sponsored by<br />
BMGT, Cosponsored by CPCD, MEDI, and<br />
NESACS<br />
The Chemistry of Epigenetic Regulation<br />
Sponsored by BIOL, Cosponsored by MEDI<br />
The Community Structure-Activity<br />
Resource (CSAR) Scoring Challenge<br />
Sponsored by COMP, Cosponsored by BIOL,<br />
CINF, and MEDI<br />
Undergraduate Research Posters<br />
Medicinal Chemistry Sponsored by CHED,<br />
Cosponsored by MEDI and SOCED<br />
Using Waters Explicitly in Drug Discovery<br />
Characterization and Applications<br />
Sponsored by COMP, Cosponsored by CINF<br />
and MEDI<br />
Women at the Forefront of Preventing and<br />
Combating Disease Sponsored by WCC,<br />
Cosponsored by BIOL,MEDI, and PROF<br />
MONDAY EVENING<br />
Section A<br />
Boston Convention & Exhibition Center<br />
Hall C<br />
Sci-Mix<br />
J. Zablocki, Organizer<br />
8:00–10:00<br />
37, 39, 41, 42, 48, 60, 64, 65, 67, 68, 72, 75,<br />
76, 77, 78, 91, 93, 96, 98, 116, 117, 118,<br />
119, 120, 121, 122, 123, 124, 129, 130,<br />
131, 135, 153, 195, 208, 209, 220, 221,<br />
226. See previous listings.<br />
484. See subsequent listings.<br />
TUESDAY MORNING<br />
Section B<br />
Boston Convention & Exhibition Center<br />
Room 253A/B<br />
MEDI Awards Symposium<br />
L. Hurley, J. Mc Carthy, Organizers<br />
P. Woster, Presiding<br />
8:00 265. JANUVIA® and beyond: Selective<br />
dipeptidyl peptidase IV inhibitors for the<br />
treatment of type 2 diabetes. A. E. Weber<br />
8:40 266. Bioorganic studies on recognition<br />
of soluble amyloid oligomers using small<br />
molecules. N. W. Smith, S. V. Dzyuba<br />
8:55 267. Application of aminoglycoside-Nacetyltransferases<br />
in the development of<br />
novel N-acylated aminoglycoside antibiotics.<br />
J. L. Houghton,<br />
S. Garneau-Tsodikova, M. Fridman,<br />
K. Green, W. Chen<br />
9:10 268. Designing attenuated Michael acceptors<br />
as experimental redox chemotherapeutics<br />
targeting skin cancer.<br />
C. M. Cabello, G. T. Wondrak<br />
9:25 269. Small molecule glycosaminoglycan<br />
mimics. A. M. Fenner,R.J.Kerns<br />
9:40 270. Discovery of a pharmacophore for<br />
inhibition of poly(ADP-ribose) glycohydrolase.<br />
J. D. Steffen, L. Steffen,<br />
D. Coyle, M. K. Jacobson<br />
9:55 271. Exploring Alphanapthoflavone<br />
heterotropic allosteric regulation of Cytochrome<br />
P450 3A4. C. M. Woods,<br />
W. M. Atkins, C. Fernandez<br />
10:10 272. Rational design of Tubastatin A:<br />
An immunosuppressant HDAC6 inhibitor<br />
with unprecedented selectivity. K. Butler,<br />
J. Kalin, C. Brochier, B. Langley,<br />
W. Hancock, G. Vistoli, A. Kozikowski<br />
10:25 273. Evaluation of a direct procaspase<br />
activating compound in pet<br />
dogs with lymphoma. Q. P. Peterson,<br />
D. C. West, D. C. Hsu, T. M. Fan,<br />
P. J. Hergenrother<br />
10:40 274. Heterocyclization in cyanobactin<br />
biosynthesis. J. A. McIntosh<br />
10:55 275. Discovery of novel BACE1 inhibitors<br />
for the treatment of Alzheimer’s disease.<br />
A. W. Stamford<br />
Section A<br />
Boston Convention & Exhibition Center<br />
Ballroom West<br />
Process Chemistry: The Role of Organic<br />
Synthesis in Early Clinical Drug<br />
Development Cosponsored by ORGN ‡<br />
A. Abdel-Magid, Organizer<br />
R. A. Singer, Organizer, Presiding<br />
8:30 Introductory Remarks<br />
8:35 276. Development of a scalable process<br />
for p38 inhibitor VX-702. S. Roeper<br />
9:15 277. Continuing process development<br />
for existing HIV/AIDS drugs: Improving<br />
access to medicines in the developing<br />
world. D. S. Teager, D. H. Ripin,<br />
R. Stringham, J. Fortunak<br />
9:55 278. Discovery and development of<br />
scalable routes to prepare AMG-221.<br />
K. B. Hansen<br />
10:35 279. Development of a scaleable process<br />
for the production of a small molecule<br />
clinical candidate. S. H. Wagaw<br />
11:15 280. Catalytic asymmetric reactions in<br />
the synthesis of complex drug targets.<br />
A. Klapars,K.R.Campos,<br />
J. H. Waldman, C. Chen<br />
Oligonucleotide Therapeutics Sponsored by<br />
CARB, Cosponsored by ANYL, BIOL, MEDI,<br />
and ORGN<br />
Tautomers and Biology<br />
Tautomers and Macromolecule-ligand<br />
Complexes Sponsored by COMP,<br />
Cosponsored by CINF, MEDI, and PHYS<br />
The Community Structure-Activity<br />
Resource (CSAR) Scoring Challenge<br />
Sponsored by COMP, Cosponsored by BIOL,<br />
CINF, and MEDI<br />
TUESDAY AFTERNOON<br />
Section A<br />
Boston Convention & Exhibition Center<br />
Room 153A/B/C<br />
Lunch and Learn Case Study: Chemistry<br />
and Pharmaceutical Blogging<br />
An Important Means of Non-Traditional<br />
Scientific Communication<br />
T. Bannister, C. Drahl, Organizers,<br />
Presiding<br />
Section B<br />
Boston Convention & Exhibition Center<br />
Room 253A/B<br />
An Update on the War on Obesity<br />
J. Macor, W. Ewing, Organizers, Presiding<br />
The official technical program<br />
for the 240th National Meeting<br />
is available at:<br />
www.acs.org/boston2010<br />
MEDI<br />
TECH–77