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Keywords: molecular docking
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Articles
Biochem J (2021) 478 (22): 4005–4024.
Published: 23 November 2021
...+ homeostasis, acting as a leak channel between the endoplasmic reticulum (ER) and cytosol. Here, we have analysed the effect of mycolactone on cytosolic and ER Ca 2+ levels using compartment-specific sensors. We also used molecular docking analysis to explore potential interaction sites for mycolactone...
Includes: Supplementary data
Articles
Biochem J (2021) 478 (14): 2843–2869.
Published: 23 July 2021
... on behalf of the Biochemical Society 2021 computational models insecticide molecular docking mutational analysis scorpion toxins sodium channel Voltage-gated sodium channels (Na v s) are responsible for the rising phase of action potentials. These channels are targets of many naturally...
Includes: Supplementary data
Articles
Biochem J (2020) 477 (17): 3219–3235.
Published: 10 September 2020
... the X-ray structure of the unliganded ch88.2 fragment antigen-binding (Fab) containing two Fabs in the unit cell. A combination of molecular docking, glycan grafting and molecular dynamics simulations predicts two distinct subsites for recognition of Le a and Le x trisaccharides. While light chain...
Includes: Supplementary data
Articles
Biochem J (2018) 475 (9): 1553–1567.
Published: 04 May 2018
... transport proteins ABCG2 asymmetry binding site molecular docking multidrug resistance As their name implies, multidrug resistance (MDR) pumps are able to transport a large range of chemically diverse substrates out of cells. While presumably this was driven by the evolutionary advantage...
Includes: Supplementary data
Articles
Biochem J (2017) 474 (13): 2261–2276.
Published: 26 June 2017
... characteristics found in existing compounds. Molecular docking, including the prediction of water-mediated interactions, was used to model interactions between the ligands and the PI3Kα affinity pocket. Inhibition was tested using lipid kinase assays, and active compounds were tested for effects on PI3K cell...
Includes: Supplementary data
Articles
Biochem J (2016) 473 (21): 4011–4026.
Published: 27 October 2016
...); published by Portland Press Limited on behalf of the Biochemical Society 2016 cold adaptation crystallography ice growth inhibition molecular docking site-directed mutagenesis thermal hysteresis Organisms that are exposed to subzero temperatures are protected from freezing damage...
Articles
Biochem J (2015) 466 (2): 253–262.
Published: 20 February 2015
... electron transfer from surface tryptophan residues forming radicals appears as a general mechanism for peroxidase oxidation of bulky substrates. catalytic protein radical dye-decolorizing peroxidase EPR spectroscopy molecular docking QM/MM site-directed mutagenesis DyPs (dye-decolorizing...
Includes: Supplementary data
Articles
Biochem J (2013) 452 (3): 575–584.
Published: 31 May 2013
... -treated LiP) was inactive. MS analyses revealed that VA-LiP includes one VA molecule covalently bound to the side chain of Tyr 181 , whereas H 2 O 2 -LiP contains a hydroxylated Tyr 181 . No adduct is formed in the Y171N variant. Molecular docking showed that VA binding is favoured by sandwich π stacking...
Includes: Supplementary data
Articles
Biochem J (2011) 436 (2): 341–350.
Published: 13 May 2011
...@cib.csic.es or victor.guallar@bsc.es ). 14 12 2010 16 2 2011 4 3 2011 4 3 2011 © The Authors Journal compilation © 2011 Biochemical Society 2011 aryl-alcohol oxidase (AAO) catalytic base glucose-methanol-choline oxidase (GMC) oxidoreductase molecular docking quantum...
Includes: Supplementary data
Articles
Biochem J (2010) 429 (2): 273–282.
Published: 28 June 2010
... targets may be responsible for the overall beneficial health effects previously attributed only to resveratrol itself. cancer chemoprevention cyclo-oxygenase (COX) molecular docking quinone reductase 2 resveratrol metabolite SIRT1 2 Correspondence should be addressed to either...
Includes: Supplementary data
Articles
Biochem J (2010) 425 (3): 531–539.
Published: 15 January 2010
... enzymatic activity assays and molecular docking procedures. Erybraedin C is able to inhibit both the cleavage and the religation steps of the enzyme reaction. In both cases, pre-incubation of the drug with the enzyme is required to produce a complete inhibition. Molecular docking simulations indicate...
Includes: Supplementary data
Articles
Biochem J (2000) 346 (3): 679–690.
Published: 07 March 2000
... molecular docking phospholipid synthesis radioiodinatable phosphatidylcholines substrate recognition water/lipid interface Biochem. J. (2000) 346, 679 690 (Printed in Great Britain) 679 Mapping the catalytic pocket of phospholipases A2 and C using a novel set of phosphatidylcholines Julio J. CARAMELO...
Articles
Biochem J (2000) 345 (1): 107–113.
Published: 17 December 1999
... heparin. Direct binding of soluble FGF receptors (FGFRs) to either monomers or dimers of FGF2, immobilized on heparin, confirm the preferred association of FGFRs with dimers of FGF2. Computerized molecular docking predicts a cis -oriented FGF2 dimer, stabilized by heparin, which complies with all...