Recent Publications of Scientific Team

  • Topiol, S. – Current and future challenges in GPCR drug discovery Computational Methods for GPCR Drug Discovery Springer. 2017, in press
  • Sabio, M. Topiol, S. – Switching Activity of Allosteric Modulators Controlled by a Cluster of Residues Forming a Pressure Point in the mGluR5 GPCR: A Computational Investigation Adv. Quantum. Chem. 2017, 75:147-174
  • Topiol, S. Bang-Andersen, B. Sanchez, C. Plenge, P. Loland, C. L. Juhl, K. Larsen, K. Bregnedal, P. Bøgesø, K. P. – X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT Bioorg. Med. Chem. Lett. 2017, 27:470-478
  • Sheng, S. Jia, H. Topiol, S. Farinas, E.T. – Engineering CotA laccase for acidic pH stability using bacillus subtilis spore display J. Microbiol. Biotechnol. 2017, 27:507-513
  • Topiol, S. Bang-Andersen, B. Sanchez, C. Bøgesø, K. P. – Exploration of insights, opportunities and caveats provided by X-ray structures of hSERT Bioorg. Med. Chem. Lett. 2016, 26:5058-5064
  • Topiol, S. Sabio, M. – 7TM X-ray Structures for Class C GPCRs as New Drug-discovery Tools. 1. mGluR5. Bioorg. Med. Chem. Lett. 2015, 26:484-494
  • Topiol, S. Sabio, M. – The role of experimental and computational structural approaches in 7TM drug discovery Expert Opin. Drug Discov. 2015, 10: 1071-1084
  • Zhou, H. Topiol, S. Grenon, M. Jimenez, H.N. Uberti, M.A. Smith, D. G. Brodbeck, R. M. Chandrasena, G. Pedersen, H. Madsen, J. C., Doller, D. Li, G. – Discovery and structure–activity relationship of 1,3-cyclohexyl amide derivatives as novel mGluR5 negative allosteric modulators Bioorg. Med. Chem. Lett. 2013, 23: 1398–1406
  • Topiol, S. – X-ray structural information of GPCRs in drug design: what are the limitations and where do we go? Expert Opin. Drug Discov. 2013, 8:607-620
  • Li, G. Zhou, H. Jiang, Y, Keim, H. Topiol, S. Poda, S. Ren, Y. Chandrasena, G. Doller, D. – Design and Synthesis of 4-Arylpiperidinyl Amide and N-Arylpiperdin-3-yl-cyclopropane Carboxamide Derivatives as Novel Melatonin Receptor Ligands Bioorg. Med. Chem. Lett.2011, 21:1236-1242
  • Topiol, S. Sabio, M., Uberti, M. – Exploration of Structure-based Drug Design Opportunities for mGluRs, Neuropharmacology 2010, 60:93-101
  • Garten, S. Biedermann, P.U., Topiol, S. and Agranat, I. – Electrostatic Chiral Distinction: Tetrahedral Model Dimers , Chirality 2010, 22:662–674
  • Sabio, M., Topiol, S. – X-ray Structure Developments for GPCR Drug Targets, Shifting Paradigms in GPCR Pharmacology, Wiley 2010
  • Topiol, S.Medicinal Chemistry for Drug Discovery: Significant Recent Trends, Insight Pharma Reports, 2009, Chapter 7, pg. 156
  • Topiol, S., Sabio, M. – X-ray structure breakthroughs in the GPCR transmembrane region, Biochemical Pharmacol. (Commentary) 2009, 78: 11-20
  • Topiol, S.GPCRs: Dawn of a New Era? Insight Pharma Reports, 2008, Chapter 6 pg. 161
  • Sabio, M., Jones, K., Topiol, S., – Use of the X-ray structure of the Beta2-adrenergic receptor for drug discovery 2. Identification of active compounds, – Med. Chem. Lett. 2008, 18:5391 – 5395
  • Jørgensen, A. M., Topiol, S., – Driving Forces for Ligand Migration in the Leucine Transporter, Biol. Drug Des. 2008, 72: 265 – 272
  • Topiol, S., Sabio, M. – Use of the X-ray Structure of the Beta2-Adrenergic Receptor for Drug Discovery, Bioorg. Med. Chem. Lett. 2008, 18: 1598 – 1602
  • Jørgensen, A. M., Tagmose, L., Jørgensen, A. M. M., Topiol, S., Sabio, M., Gundertofte, K., Bøgesø, K. P., Peters, G. H., – Homology Modeling of the Serotonin Transporter: Insights into the Primary Escitalopram-binding Site ChemMedChem 2007, 2:815 – 826