Search Results - "Rognan, D."

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    Chemogenomic approaches to rational drug design by Rognan, D

    Published in British journal of pharmacology (01-09-2007)
    “…Paradigms in drug design and discovery are changing at a significant pace. Concomitant to the sequencing of over 180 several genomes, the high‐throughput…”
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    Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations by Bissantz, Caterina, Folkers, Gerd, Rognan, Didier

    Published in Journal of medicinal chemistry (14-12-2000)
    “…Three different database docking programs (Dock, FlexX, Gold) have been used in combination with seven scoring functions (Chemscore, Dock, FlexX, Fresno, Gold,…”
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    sc-PDB:  an Annotated Database of Druggable Binding Sites from the Protein Data Bank by Kellenberger, Esther, Muller, Pascal, Schalon, Claire, Bret, Guillaume, Foata, Nicolas, Rognan, Didier

    “…The sc-PDB is a collection of 6 415 three-dimensional structures of binding sites found in the Protein Data Bank (PDB). Binding sites were extracted from all…”
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    Targeting the cis‐dimerization of LINGO‐1 with low MW compounds affects its downstream signalling by Cobret, L, De Tauzia, M L, Ferent, J, Traiffort, E, Hénaoui, I, Godin, F, Kellenberger, E, Rognan, D, Pantel, J, Bénédetti, H, Morisset‐Lopez, S

    Published in British journal of clinical pharmacology (01-02-2015)
    “…Background and Purpose The transmembrane protein LINGO‐1 is a negative regulator in the nervous system mainly affecting axonal regeneration, neuronal survival,…”
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    Behavioral and neurochemical characterization of TrkB-dependent mechanisms of agomelatine in glucocorticoid receptor-impaired mice by Boulle, F, Velthuis, H, Koedam, K, Steinbusch, H.W, van den Hove, D.L.A, Kenis, G, Gabriel, C, Mocaer, E, Franc, B, Rognan, D, Mongeau, R, Lanfumey, L

    Published in European neuropsychopharmacology (01-01-2016)
    “…Abstract Growing evidence indicates that impairment of the stress response, in particular the negative feedback regulation mechanism exerted by the…”
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    Development and virtual screening of target libraries by Rognan, Didier

    Published in Journal of physiology, Paris (01-03-2006)
    “…The concomitant development of in silico screening technologies and of three-dimensional information on therapeutically relevant macromolecular targets makes…”
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    Binding Properties of Pyochelin and Structurally Related Molecules to FptA of Pseudomonas aeruginosa by Mislin, Gaëtan L.A., Hoegy, Françoise, Cobessi, David, Poole, Keith, Rognan, Didier, Schalk, Isabelle J.

    Published in Journal of molecular biology (14-04-2006)
    “…Pyochelin (Pch) is a siderophore that is produced in iron‐limited conditions, by both Pseudomonas aeruginosa and Burkholderia cepacia. This iron uptake pathway…”
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    Key Amino Acids Located within the Transmembrane Domains 5 and 7 Account for the Pharmacological Specificity of the Human V1b Vasopressin Receptor by Derick, S, Pena, A, Durroux, T, Wagnon, J, Serradeil-Le Gal, C, Hibert, M, Rognan, D, Guillon, G

    Published in Molecular endocrinology (Baltimore, Md.) (01-11-2004)
    “…In mammals, the vasopressin V1b receptor (V1b-R) is known to regulate ACTH secretion and, more recently, stress and anxiety. The characterization of the…”
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    Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutants by Saparpakorn, P., Hannongbua, S., Rognan, D.

    Published in SAR and QSAR in environmental research (01-04-2006)
    “…Nevirapine (Viramune®) belongs to the first generation of non-nucleoside reverse transcriptase inhibitors (NNRTIs). Its efficiency is limited by drug resistant…”
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    Identification and characterisation of the dopamine receptor II from the cat flea Ctenocephalides felis (CfDopRII) by Gerber, Sonja, Krasky, Andreas, Rohwer, Andreas, Lindauer, Simone, Closs, Ellen, Rognan, Didier, Gunkel, Nikolas, Selzer, Paul M., Wolf, Christian

    Published in Insect biochemistry and molecular biology (01-10-2006)
    “…G protein-coupled receptors (GPCRs) represent a protein family with a wide range of functions. Approximately 30% of human drug targets are GPCRs, illustrating…”
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    Molecular Dynamics Simulation of MHC-Peptide Complexes as a Tool for Predicting Potential T Cell Epitopes by Rognan, Didier, Scapozza, Leonardo, Folkers, Gerd, Daser, Angelika

    Published in Biochemistry (Easton) (01-09-1994)
    “…The class I major histocompatibility complex-encoded HLA-B*2705 protein was simulated in complex with six different peptides exhibiting unexpected…”
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    Rational design of nonnatural peptides as high-affinity ligands for the HLA-B2705 human leukocyte antigen by Rognan, D, Scapozza, L, Folkers, G, Daser, A

    “…From the three-dimensional structure of the class I major histocompatibility complex (MHC) HLA-B*2705 protein, several nonnatural peptides were designed either…”
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    Comparative evaluation of eight docking tools for docking and virtual screening accuracy by Kellenberger, Esther, Rodrigo, Jordi, Muller, Pascal, Rognan, Didier

    “…Eight docking programs (DOCK, FLEXX, FRED, GLIDE, GOLD, SLIDE, SURFLEX, and QXP) that can be used for either single‐ligand docking or database screening have…”
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    NMR-restrained docking of a peptidic inhibitor to the N-terminal domain of the phosphoenolpyruvate:sugar phosphotransferase enzyme I by Rognan, D, Mukhija, S, Folkers, G, Zerbe, O

    Published in Journal of computer-aided molecular design (01-02-2001)
    “…Starting from the NMR structure of the binary complex between the N-terminal domain of the unphosphorylated enzyme I (EIN) of the phosphoenolpyruvate:sugar…”
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