Research Topics
| Jonas BoströmSummaryAffiliation: AstraZeneca R and D Publications
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Detail Information
Publications
Oxadiazoles in medicinal chemistryJonas Boström
AstraZeneca R and D Molndal, S 431 83 Molndal, Sweden
J Med Chem 55:1817-30. 2012..g., dipole moments). To facilitate the use of these heteroaromatic rings, novel synthetic routes for ready access of a broad spectrum of 1,3,4-oxadiazoles, under mild conditions, are described...
Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching toolsJ Bostrom
Department of Medicinal Chemistry, AstraZeneca R and D Molndal, Sweden
J Comput Aided Mol Des 15:1137-52. 2001..Factors influencing bioactive conformational retrieval have been identified and are discussed...- Exploiting personalized information for reagent selection in drug designJonas Boström
Lead Generation Department, AstraZeneca R and D Molndal, S 43183 Mölndal, Sweden
Drug Discov Today 16:181-7. 2011..The system is tailored to highlight reagents from our corporate reagent database; reagents that a chemist might not have considered based purely on their own experience... - Scaffold hopping, synthesis and structure-activity relationships of 5,6-diaryl-pyrazine-2-amide derivatives: a novel series of CB1 receptor antagonistsJonas Boström
Lead Generation Department, AstraZeneca R and D Molndal, S 431 83 Molndal, Sweden
Bioorg Med Chem 15:4077-84. 2007..The synthesis and CB1 antagonistic activities of a new series of 5,6-diaryl-pyrazine-2-amide derivatives are described. Several compounds showed antagonist potency below 10nM for the CB1 receptor... - Do structurally similar ligands bind in a similar fashion?Jonas Boström
Department of Medicinal Chemistry, AstraZeneca R and D Molndal, S 431 83 Molndal, Sweden
J Med Chem 49:6716-25. 2006..We allow ourselves to draw general conclusions because our data set consists of ligands with drug-like physicochemical properties complexed to a broad spectrum of different protein classes... - A 3D QSAR study on a set of dopamine D4 receptor antagonistsJonas Boström
H Lundbeck A S, Ottiliavej 9, DK 2500 Copenhagen Valby, Denmark
J Chem Inf Comput Sci 43:1020-7. 2003..Likewise, certain hydrogen-bond acceptors can be used to lower D(2) affinity. These observations may be exploited for the design of novel dopamine D(4) selective antagonists... - Assessing the performance of OMEGA with respect to retrieving bioactive conformationsJonas Boström
Department of Medicinal Chemistry, AstraZeneca R and D Molndal, S 431 83 Molndal, Sweden
J Mol Graph Model 21:449-62. 2003..Both databases provided satisfactory results in terms of retrieval. ROCS was able to rank 35 out of 36 X-ray structures among the top 500 hits from the large database... - MIMUMBA revisited: torsion angle rules for conformer generation derived from X-ray structuresJens Sadowski
Lead Generation Department, AstraZeneca R and D, S 43183 Mölndal, Sweden
J Chem Inf Model 46:2305-9. 2006..5 A to the X-ray structure improves from 84% to 92% in a test set of 11 027 experimental structures from the CSD. Moreover, the average RMS distance of the closest conformation to the X-ray structure improves from 0.30 to 0.22 A... - Exploiting structural information in patent specifications for key compound predictionChristian Tyrchan
AstraZeneca R and D, CVGI iMED, Pepparedsleden 1, S 431 83 Molndal, Sweden
J Chem Inf Model 52:1480-9. 2012..Finally, a successful example of applying FOG analysis for designing potent ATP-competitive AXL kinase inhibitors with improved properties is described... - Follow-on drugs: how far should chemists look?Fabrizio Giordanetto
AstraZeneca R and D, CVGI iMED, Pepparedsleden 1, S 431 83 Molndal, Sweden
Drug Discov Today 16:722-32. 2011..This highlights the fact that even simple atomic variations can cause drastic changes in molecular properties responsible for therapeutic advantages... - Novel thioamide derivatives as neutral CB1 receptor antagonistsJonas Boström
Lead Generation Department, AstraZeneca R and D Molndal, S 431 83 Molndal, Sweden
Bioorg Med Chem Lett 20:479-82. 2010..The structural series of thioamides not only showed retained CB1 potency (below 10nM), but also showed improved solubility. In addition, the neutral antagonist 2c significantly reduced body weight in cafeteria diet obese mice... - A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptorPeter Bach
Department of Medicinal Chemistry, AstraZeneca R and D, Pepparedsleden 1, S 43183 Mölndal, Sweden
Bioorg Med Chem Lett 21:2877-81. 2011..The synthesis of the piperazinyl-pyridine urea derivatives and their structure-activity relationships (SAR) are described. Several compounds showed P2Y(12) antagonistic activities in the sub-micromolar range... - Computational chemistry-driven decision making in lead generationVolker Schnecke
Computational Lead Discovery, Department of Medicinal Chemistry, AstraZeneca R and D Molndal, S 43183 Mölndal, Sweden
Drug Discov Today 11:43-50. 2006..Striving for the best possible decision is crucial because choosing the wrong series is a costly one-way street... - Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5Roine I Olsson
Respiratory and Inflammation iMed, AstraZeneca R and D Molndal, SE 431 83 Molndal, Sweden
Bioorg Med Chem Lett 23:706-10. 2013..5 IC(50) values of <0.5 μM were discovered. Selectivity over the ventricular IKs current was monitored and selective compounds were found. Results from a rabbit PD-model are included...