Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A.
作者： Saedeh Dadgar , Zack Ramjan , Wely B. Floriano
DOI: 10.1021/JM301829H
关键词:
摘要: We have successfully identified one new inhibitor and fluorescent recognition agent for the botulinum neurotoxin subtype A (BoNT/A) using virtual screening protocol “protein scanning with ligand screening” (PSVLS). Hit selection used an in-house developed holistic binding scoring method. Selected hits were tested experimentally inhibitory activity fluorescence resonance energy transfer (FRET) assays against light chain (catalytic domain) of BoNT/A. Ligand was determined heavy BoNT/A complex through either radiolabeled (nonfluorescent ligands) or intensity (fluorescent ligands). These experimental confirmed compound (paclitaxel) to inhibit BoNT/A’s proteolytic IC50 5.2 μM. derivative also bind toxin therefore is a suitable candidate rational design detection agents development o...
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Wilhelm J Schulte-Mattler, Use of botulinum toxin A in adult neurological disorders: efficacy, tolerability and safety. CNS Drugs. ,vol. 22, pp. 725- 738 ,(2008) , 10.2165/00023210-200822090-00002
T. Binz, J. Blasi, S. Yamasaki, A. Baumeister, E. Link, T.C. Südhof, R. Jahn, H. Niemann, Proteolysis of SNAP-25 by types E and A botulinal neurotoxins Journal of Biological Chemistry. ,vol. 269, pp. 1617- 1620 ,(1994) , 10.1016/S0021-9258(17)42071-0
G. Patrick Brady Jr., Pieter F.W. Stouten, Fast prediction and visualization of protein binding pockets with PASS. Journal of Computer-aided Molecular Design. ,vol. 14, pp. 383- 401 ,(2000) , 10.1023/A:1008124202956
S. Yamasaki, A. Baumeister, T. Binz, J. Blasi, E. Link, F. Cornille, B. Roques, E.M. Fykse, T.C. Südhof, R. Jahn, Cleavage of members of the synaptobrevin/VAMP family by types D and F botulinal neurotoxins and tetanus toxin Journal of Biological Chemistry. ,vol. 269, pp. 12764- 12772 ,(1994) , 10.1016/S0021-9258(18)99941-2
G Schiavo, O Rossetto, S Catsicas, P Polverino de Laureto, B.R. DasGupta, F Benfenati, C Montecucco, Identification of the nerve terminal targets of botulinum neurotoxin serotypes A, D, and E. Journal of Biological Chemistry. ,vol. 268, pp. 23784- 23787 ,(1993) , 10.1016/S0021-9258(20)80452-9
Dale J. Lange, Michael Rubin, Paul E. Greene, Un J. Kang, Carol B. Moskowitz, Mitchell F. Brin, Robert E. Lovelace, Stanley Fahn, Distant effects of locally injected botulinum toxin : A double blind study of single fiber EMG changes Muscle & Nerve. ,vol. 14, pp. 672- 675 ,(1991) , 10.1002/MUS.880140711
Ann R. Hermone, James C. Burnett, Jonathan E. Nuss, Lyal E. Tressler, Tam L. Nguyen, Bogdan A. Šolaja, Jonathan L. Vennerstrom, James J. Schmidt, Peter Wipf, Sina Bavari, Rick Gussio, Three-Dimensional Database Mining Identifies a Unique Chemotype that Unites Structurally Diverse Botulinum Neurotoxin Serotype A Inhibitors in a Three-Zone Pharmacophore ChemMedChem. ,vol. 3, pp. 1905- 1912 ,(2008) , 10.1002/CMDC.200800241
Nicolas Roche, Alexis Schnitzler, François Genêt F, Marie-Christine Durand, Djamel Bensmail, Undesirable Distant Effects Following Botulinum Toxin Type A Injection Clinical Neuropharmacology. ,vol. 31, pp. 272- 280 ,(2008) , 10.1097/WNF.0B013E31815CBA8A
Kateřina Čapková, Nicholas T. Salzameda, Kim D. Janda, Investigations into Small Molecule Non-Peptidic Inhibitors of the Botulinum Neurotoxins Toxicon. ,vol. 54, pp. 575- 582 ,(2009) , 10.1016/J.TOXICON.2009.03.016
Yan Yuan Tseng, Z. Jeffrey Chen, Wen-Hsiung Li, fPOP: footprinting functional pockets of proteins by comparative spatial patterns Nucleic Acids Research. ,vol. 38, pp. 288- 295 ,(2010) , 10.1093/NAR/GKP900