nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Arylazolyl(azinyl)thioacetanilides. Part 10: Design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors
|
Li, Xiao |
|
2012 |
20 |
18 |
p. 5527-5536 10 p. |
artikel |
2 |
Backtranslating clinical knowledge for use in cheminformatics—What is the potential?
|
Scheiber, Josef |
|
2012 |
20 |
18 |
p. 5461-5463 3 p. |
artikel |
3 |
Bioactivity landscape modeling: Chemoinformatic characterization of structure–activity relationships of compounds tested across multiple targets
|
Waddell, Jacob |
|
2012 |
20 |
18 |
p. 5443-5452 10 p. |
artikel |
4 |
Bioorganic & Medicinal Chemistry Reviews and Perspectives
|
|
|
2012 |
20 |
18 |
p. I-III nvt p. |
artikel |
5 |
BioProfile—Extract knowledge from corporate databases to assess cross-reactivities of compounds
|
Beck, Bernd |
|
2012 |
20 |
18 |
p. 5428-5435 8 p. |
artikel |
6 |
C-Glucosylated malonitrile as a key intermediate towards carbohydrate-based glycogen phosphorylase inhibitors
|
Feuillastre, Sophie |
|
2012 |
20 |
18 |
p. 5592-5599 8 p. |
artikel |
7 |
Chemoinformatics: A view of the field and current trends in method development
|
Vogt, Martin |
|
2012 |
20 |
18 |
p. 5317-5323 7 p. |
artikel |
8 |
Chemoinformatics: Recent advances at the interfaces between computer and chemical information sciences, chemistry, and drug discovery
|
Bajorath, Jürgen |
|
2012 |
20 |
18 |
p. 5316- 1 p. |
artikel |
9 |
Chemotography for multi-target SAR analysis in the context of biological pathways
|
Lounkine, Eugen |
|
2012 |
20 |
18 |
p. 5416-5427 12 p. |
artikel |
10 |
Cluster analysis of the DrugBank chemical space using molecular quantum numbers
|
Awale, Mahendra |
|
2012 |
20 |
18 |
p. 5372-5378 7 p. |
artikel |
11 |
Combining multiple classifications of chemical structures using consensus clustering
|
Chu, Chia-Wei |
|
2012 |
20 |
18 |
p. 5366-5371 6 p. |
artikel |
12 |
Conjugation of cyclodextrin with fullerene as a new class of HCV entry inhibitors
|
Xiao, Su-long |
|
2012 |
20 |
18 |
p. 5616-5622 7 p. |
artikel |
13 |
Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping
|
Ertl, Peter |
|
2012 |
20 |
18 |
p. 5436-5442 7 p. |
artikel |
14 |
Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives
|
Hirose, Masaaki |
|
2012 |
20 |
18 |
p. 5600-5615 16 p. |
artikel |
15 |
Design of potent bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase via targeted interactions with the active site ‘capping’ phenyls
|
De Schutter, Joris W. |
|
2012 |
20 |
18 |
p. 5583-5591 9 p. |
artikel |
16 |
Design, synthesis and structure–activity relationships of novel benzoxazolone derivatives as 18kDa translocator protein (TSPO) ligands
|
Fukaya, Takayuki |
|
2012 |
20 |
18 |
p. 5568-5582 15 p. |
artikel |
17 |
Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules
|
Matter, Hans |
|
2012 |
20 |
18 |
p. 5352-5365 14 p. |
artikel |
18 |
Discovery of pyrrolo[3,2-c]quinoline-4-one derivatives as novel hedgehog signaling inhibitors
|
Ohashi, Tomohiro |
|
2012 |
20 |
18 |
p. 5496-5506 11 p. |
artikel |
19 |
Discovery of structurally-diverse inhibitor scaffolds by high-throughput screening of a fragment library with dimethylarginine dimethylaminohydrolase
|
Linsky, Thomas W. |
|
2012 |
20 |
18 |
p. 5550-5558 9 p. |
artikel |
20 |
Discovery of the investigational drug TAK-441, a pyrrolo[3,2-c]pyridine derivative, as a highly potent and orally active hedgehog signaling inhibitor: Modification of the core skeleton for improved solubility
|
Ohashi, Tomohiro |
|
2012 |
20 |
18 |
p. 5507-5517 11 p. |
artikel |
21 |
Early phase drug discovery: Cheminformatics and computational techniques in identifying lead series
|
Duffy, Bryan C. |
|
2012 |
20 |
18 |
p. 5324-5342 19 p. |
artikel |
22 |
Editorial board
|
|
|
2012 |
20 |
18 |
p. IFC- 1 p. |
artikel |
23 |
Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors
|
Poongavanam, Vasanthanathan |
|
2012 |
20 |
18 |
p. 5388-5395 8 p. |
artikel |
24 |
Graphical contents list
|
|
|
2012 |
20 |
18 |
p. 5305-5315 11 p. |
artikel |
25 |
Hole filling and library optimization: Application to commercially available fragment libraries
|
An, Yuling |
|
2012 |
20 |
18 |
p. 5379-5387 9 p. |
artikel |
26 |
Identification and synthesis of substituted pyrrolo[2,3-d]pyrimidines as novel firefly luciferase inhibitors
|
Liu, Yang |
|
2012 |
20 |
18 |
p. 5473-5482 10 p. |
artikel |
27 |
New artesunic acid homodimers: Potent reversal agents of multidrug resistance in leukemia cells
|
Reiter, Christoph |
|
2012 |
20 |
18 |
p. 5637-5641 5 p. |
artikel |
28 |
New description of protein–ligand interactions using a spherical self-organizing map
|
Hasegawa, Kiyoshi |
|
2012 |
20 |
18 |
p. 5410-5415 6 p. |
artikel |
29 |
RETRACTED: Corrigendum to “3-Benzhydryl-4-piperidones as novel neurokinin-1 receptor antagonists and their efficient synthesis” [Bioorg. Med. Chem. 19 (2011) 5175–5182]
|
Shirai, Junya |
|
2012 |
20 |
18 |
p. 5668- 1 p. |
artikel |
30 |
Riluzole prodrugs for melanoma and ALS: Design, synthesis, and in vitro metabolic profiling
|
McDonnell, Mark E. |
|
2012 |
20 |
18 |
p. 5642-5648 7 p. |
artikel |
31 |
Softening the Rule of Five—where to draw the line?
|
Petit, Joachim |
|
2012 |
20 |
18 |
p. 5343-5351 9 p. |
artikel |
32 |
Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: Key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action
|
Vázquez, Ramiro |
|
2012 |
20 |
18 |
p. 5537-5549 13 p. |
artikel |
33 |
Synthesis and antimalarial activity of new haemanthamine-type derivatives
|
Cedrón, Juan C. |
|
2012 |
20 |
18 |
p. 5464-5472 9 p. |
artikel |
34 |
Synthesis and pharmacological evaluation of indolinone derivatives as novel ghrelin receptor antagonists
|
Puleo, Letizia |
|
2012 |
20 |
18 |
p. 5623-5636 14 p. |
artikel |
35 |
Synthesis and SAR studies of 3-allyl-4-prenyloxyaniline amides as potent 15-lipoxygenase inhibitors
|
Jabbari, Atena |
|
2012 |
20 |
18 |
p. 5518-5526 9 p. |
artikel |
36 |
Synthesis, biological evaluation, and molecular docking of N-{3-[3-(9-methyl-9H-carbazol-3-yl)-acryloyl]-phenyl}-benzamide/amide derivatives as xanthine oxidase and tyrosinase inhibitors
|
Bandgar, Babasaheb P. |
|
2012 |
20 |
18 |
p. 5649-5657 9 p. |
artikel |
37 |
Synthesis of Paclitaxel–BGL Conjugates
|
Nemoto, Hisao |
|
2012 |
20 |
18 |
p. 5559-5567 9 p. |
artikel |
38 |
Synthesis of stable isotope labelled internal standards for drug–drug interaction (DDI) studies
|
Atzrodt, J. |
|
2012 |
20 |
18 |
p. 5658-5667 10 p. |
artikel |
39 |
UDP made a highly promising stable, potent, and selective P2Y6-receptor agonist upon introduction of a boranophosphate moiety
|
Ginsburg-Shmuel, Tamar |
|
2012 |
20 |
18 |
p. 5483-5495 13 p. |
artikel |
40 |
Using self-organizing maps to accelerate similarity search
|
Bonachera, Fanny |
|
2012 |
20 |
18 |
p. 5396-5409 14 p. |
artikel |
41 |
Who cares for the protons?
|
Czodrowski, Paul |
|
2012 |
20 |
18 |
p. 5453-5460 8 p. |
artikel |