Search Results - "Källblad, Per"

Identification of MMP-12 Inhibitors by Using Biosensor-Based Screening of a Fragment Library by Nordström, Helena, Gossas, Thomas, Hämäläinen, Markku, Källblad, Per, Nyström, Susanne, Wallberg, Hans, Danielson, U. Helena

“…Small inhibitors of matrix metalloproteinase 12 (MMP-12) have been identified with a biosensor-based screening strategy and a specifically designed fragment…”
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Small-Molecule Inhibitors of the MDM2-p53 Protein−Protein Interaction Based on an Isoindolinone Scaffold by Hardcastle, Ian R, Ahmed, Shafiq U, Atkins, Helen, Farnie, Gillian, Golding, Bernard T, Griffin, Roger J, Guyenne, Sabrina, Hutton, Claire, Källblad, Per, Kemp, Stuart J, Kitching, Martin S, Newell, David R, Norbedo, Stefano, Northen, Julian S, Reid, Rebecca J, Saravanan, K, Willems, Henriëtte M. G, Lunec, John

“…From a set of weakly potent lead compounds, using in silico screening and small library synthesis, a series of 2-alkyl-3-aryl-3-alkoxyisoindolinones has been…”
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Surface Plasmon Resonance Biosensor Based Fragment Screening Using Acetylcholine Binding Protein Identifies Ligand Efficiency Hot Spots (LE Hot Spots) by Deconstruction of Nicotinic Acetylcholine Receptor α7 Ligands by de Kloe, Gerdien E, Retra, Kim, Geitmann, Matthis, Källblad, Per, Nahar, Tariq, van Elk, René, Smit, August B, van Muijlwijk-Koezen, Jacqueline E, Leurs, Rob, Irth, Hubertus, Danielson, U. Helena, de Esch, Iwan J. P

“…The soluble acetylcholine binding protein (AChBP) is a homologue of the ligand-binding domain of the nicotinic acetylcholine receptors (nAChR). To guide future…”
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Experimental validation of a fragment library for lead discovery using SPR biosensor technology by Elinder, Malin, Geitmann, Matthis, Gossas, Thomas, Källblad, Per, Winquist, Johan, Nordström, Helena, Hämäläinen, Markku, Danielson, U Helena

“…A new fragment library for lead discovery has been designed and experimentally validated for use in surface plasmon resonance (SPR) biosensor-based screening…”
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Isoindolinone-based inhibitors of the MDM2–p53 protein–protein interaction by Hardcastle, Ian R., Ahmed, Shafiq U., Atkins, Helen, Calvert, A. Hilary, Curtin, Nicola J., Farnie, Gillian, Golding, Bernard T., Griffin, Roger J., Guyenne, Sabrina, Hutton, Claire, Källblad, Per, Kemp, Stuart J., Kitching, Martin S., Newell, David R., Norbedo, Stefano, Northen, Julian S., Reid, Rebecca J., Saravanan, K., Willems, Henriëtte M.G., Lunec, John

“…The design, synthesis and evaluation of 24 isoindolinones as potential inhibitors of the MDM2–p53 interaction is described. The most potent inhibitor NU8231…”
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Abstract 3843: LSD1 modulation by allosteric ligands by Emond, Wei B., Geitmann, Matthis, Jarvius, Malin, Koehler, Konrad, Källblad, Per, Niklasson, Mia, Parrow, Vendela, Sawant, Rajiv, Sjöberg, Maria, Winquist, Johan, Segerman, Anna, Bremberg, Ulf

“…Abstract LSD1 has emerged as a potential therapeutic target for a number of cancer types (e.g. AML, SCLC, colorectal, breast, liver, prostate, glioblastoma,…”
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Abstract 705: Potentiation of immunotherapy by LSD1 modulation by Emond, Wei B., Sawant, Rajiv, Geitmann, Matthis, Winquist, Johan, Brandt, Peter, Bremberg, Ulf, Källblad, Per, Parrow, Vendela, Andersson, Claes, Blom, Kristin, Najafi, Nasrin, Bergström, Tobias, Swartling, Fredrik J., Hellström, Mats, Koehler, Konrad F.

“…Abstract LSD1 has emerged as a potential therapeutic target to increase the effectiveness of cancer immunotherapy. We have developed a series of novel small…”
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Efficient Conformational Sampling of Local Side-chain Flexibility by Källblad, Per, Dean, Philip M.

“…Side-chain flexibility of ligand-binding sites needs to be considered in the rational design of novel inhibitors. We have developed a method to generate…”
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Assessment of Multiple Binding Modes in Ligand−Protein Docking by Källblad, Per, Mancera, Ricardo L, Todorov, Nikolay P

“…Computational ligand−protein docking is routinely used for binding mode prediction. We have quantified the effect of considering multiple docking solutions on…”
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Ligand–protein docking using a quantum stochastic tunneling optimization method by Mancera, Ricardo L., Källblad, Per, Todorov, Nikolay P.

“…A novel hybrid optimization method called quantum stochastic tunneling has been recently introduced. Here, we report its implementation within a new docking…”
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Backbone-backbone geometry of tertiary contacts between α-helices by Källblad, Per, Dean, Philip M.

“…Knowledge about how secondary‐structure elements combine together to form the tertiary structure is crucial for understanding protein folding. We have examined…”
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Receptor Flexibility in the in Silico Screening of Reagents in the S1‘ Pocket of Human Collagenase by Källblad, Per, Todorov, Nikolay P, Willems, Henriëtte M. G, Alberts, Ian L

“…A major difficulty in structure-based molecular design is the prediction of the structure of the protein−ligand complex because of the enormous number of…”
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Molecular modelling prediction of ligand binding site flexibility by Yang, Ami Yi-Ching, Källblad, Per, Mancera, Ricardo L

“…We have investigated the efficacy of generating multiple sidechain conformations using a rotamer library in order to find the experimentally observed ligand…”
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Ligand Docking and Design in a Flexible Receptor Site by Alberts, Ian L., Todorov, Nicolay P., Källblad, Per, Dean, Philip M.

“…Intrinsic protein flexibility is often ignored in the drug discovery process, however, there is increasing evidence suggesting that many therapeutic targets…”
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