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Description TABLE
Article Title: 4‐Sulfonyloxy/alkoxy benzoxazolone derivatives with high anti‐inflammatory activities: Synthesis, biological evaluation, and mechanims of action via p38/ERK‐NF‐κB/iNOS pathway
Publication Title: Chemical Biology & Drug Design -
Description Michaelis–Menten plot of the reaction velocity against various concentrations of choline in the absence and presence of compound 5 (10 μM). Error bars represent standard deviation (n = 3) [Colour...
Article Title: Peptidomimetic‐based approach toward inhibitors of microbial trimethylamine lyases
Publication Title: Chemical Biology & Drug Design -
Description Western blot analysis. MDA‐MB‐231 cells were treated with compound 4h and then lysed for subjection to Western blot analysis with antibodies to caspase‐3, caspase‐9, Bax, Bcl‐2, and β‐actin used as...
Article Title: Synthesis and antitumor activity of 2‐isocamphanyl thiosemicarbazone derivatives via ROS‐enhanced mitochondrial damage
Publication Title: Chemical Biology & Drug Design -
Description Binding of metallo‐beta‐lactamase VIM‐2 to cyclic boronate compound (PDB:5fqc). The inhibitor is given by a dark blue model, Zn are blue spheres, and water is red spheres [Colour figure can be...
Article Title: Approaches for the discovery of metallo‐β‐lactamase inhibitors: A review
Publication Title: Chemical Biology & Drug Design -
Description Systemic alterations and disorderliness of the activation loop across 100 ns MD simulation time showing differential motions and perturbations of the activation loop among. Unbound β‐FXIIa (green)...
Article Title: Deciphering the canonical blockade of activated Hageman factor (FXIIa) by benzamidine in the coagulation cascade: A thorough dynamical perspective
Publication Title: Chemical Biology & Drug Design -
Description The synthetic route of target compounds 5a–k and 10a–g. Reagents and conditions: (i) (CH3)2SO4, (CH3)2CO, K2CO3, reflux, 4 hr; LiAlH4, THF, 0°C‐rt, 4–6 hr; (ii) CH2Cl2, PBr3, 0°C‐rt, 3–6 hr; (iii)...
Article Title: Synthesis and pharmacological evaluation of 2,3‐diphenyl acrylonitriles‐bearing halogen as selective anticancer agents
Publication Title: Chemical Biology & Drug Design -
Description Table
Article Title: Development of quinoline‐based hybrid as inhibitor of methionine aminopeptidase 1 from Leishmania donovani
Publication Title: Chemical Biology & Drug Design -
Description (a) Several virtual screening hits bound to the Plutella xylostella ecdysone receptor. Vertical axis indicates % inhibition relative to PonA. (b) Binding activity of VS14 against in...
Article Title: Identification of 1‐phenyl‐4‐cyano‐5‐aminopyrazoles as novel ecdysone receptor ligands by virtual screening, structural optimization, and biological evaluations
Publication Title: Chemical Biology & Drug Design -
Description Flowcytometric analysis of the mitochondrial membrane potential: (a) mitochondrial membrane depolarization of MG‐63 cells treated with 0.5, 1 and 2.5 μM concentrations of 6n. P1 (red) indicates the...
Article Title: Synthesis and biological evaluation of morpholines linked coumarin–triazole hybrids as anticancer agents
Publication Title: Chemical Biology & Drug Design -
Description Molecular docking of QYT‐4h with modelled LdMetAP1 and crystal structure of HsMetAP1 (PDB ID: 2B3K). Structures of LdMetAP1 and HsMetAP1 (as surface) docked with QYT‐4h (shown as sticks) are...
Article Title: Development of quinoline‐based hybrid as inhibitor of methionine aminopeptidase 1 from Leishmania donovani
Publication Title: Chemical Biology & Drug Design -
Description Plots showing apo and 13‐bound CACYP51's Cα RMSD values (a) over time and average RMS fluctuations of each residue (b) [Colour figure can be viewed at wileyonlinelibrary.com]
Article Title: Antifungal screening and in silico mechanistic studies of an in‐house azole library
Publication Title: Chemical Biology & Drug Design -
Description Effect of pH on %RCP of 99mTc‐ROX (300 μg ROX, 4 μg SnCl2·2H2O, 15 min, n = 3) [Colour figure can be viewed at wileyonlinelibrary.com]
Article Title: Synthesis of 99mTc‐roxithromycin: A novel diagnostic agent to discriminate between septic and aseptic inflammation
Publication Title: Chemical Biology & Drug Design -
Description Fenestration blockade of TREK subfamily channels by fluoxetine and its derivatives (a). Chemical structure of the three TREK blockers targeting the open side fenestrations (b) Fenestration blockade...
Article Title: Molecular determinants of chemical modulation of two‐pore domain potassium channels
Publication Title: Chemical Biology & Drug Design -
Description Titration and titration curve of lansoprazole (10 μM) with Al(NO3)3 in water (water/DMSO, 99:1, v/v) [Colour figure can be viewed at wileyonlinelibrary.com]
Article Title: Spectroscopic study of in situ‐formed metallocomplexes of proton pump inhibitors in water
Publication Title: Chemical Biology & Drug Design -
Description ROC curves of four different selection methods for inverse docking into the Astex data set : score‐based (blue); receptor‐average Z‐score (orange); ligand average Z‐score (green); and combined...
Article Title: Commentary: Reproducible science, why protocols matter
Publication Title: Chemical Biology & Drug Design -
Description Inhibition of PTP1B by compound 38 improved insulin signalling in skeletal muscle of db/db mice. (a) Western blot analysis of p‐IRSI, p‐Akt and Glut4 in skeletal muscle of db/db mice, 40 µg of...
Article Title: Synthesis, SAR and docking studies of substituted aryl phenylthiazolyl phenylcarboxamide as potential protein tyrosine phosphatase 1B (PTP1B) inhibitors
Publication Title: Chemical Biology & Drug Design -
Description Experimental and calculated values of pLC50 along with corresponding R2 for the test sets using an MLP neural network are as follows
Article Title: Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure–toxicity relationship
Publication Title: Chemical Biology & Drug Design -
Description Table
Article Title: Rational drug discovery: Ellagic acid as a potent dual‐target inhibitor against hepatitis C virus genotype 3 (HCV G3) NS3 enzymes
Publication Title: Chemical Biology & Drug Design -
Description Time evolution of applied force in sMD simulations of CO in water. The values of k and pulling velocity are specified in subplot titles. The grid is organized such that the value of k decreases...
Article Title: Lessons learned about steered molecular dynamics simulations and free energy calculations
Publication Title: Chemical Biology & Drug Design -
Description Proposed reaction mechanism for the formation of benzotriazole 3
Article Title: Expedient synthesis and anticancer evaluation of dual‐action 9‐anilinoacridine methyl triazene chimeras
Publication Title: Chemical Biology & Drug Design -
Description Effect of compound 5a on DNA fragmentation. Compound 5a and 5‐fluorouracil (5‐FU) treatment induced DNA damage in PC‐3, DU145 and LNCaP cells which was detected by agarose DNA gel electrophoresis....
Article Title: Design and synthesis of phenylpiperazine derivatives as potent anticancer agents for prostate cancer
Publication Title: Chemical Biology & Drug Design -
Description (a) The permeation path of the hNav1.2 calculated by HOLE is shown by dots. (b) The radius of the transport channel of the hNav1.2 model. (c) The electrostatic potential maps calculated by Delphi....
Article Title: Insight into tetrodotoxin blockade and resistance mechanisms of Nav1.2 sodium channel by theoretical approaches
Publication Title: Chemical Biology & Drug Design -
Description Synthesis of target compounds 4. Reagents and conditions: (a) Meldrum's acid, water, 75°C, 2 hr; (b) NaBH4, r.t.; (c) D2O, DMF, 100°C, 12 hr, then MeOH, H2SO4, reflux, 3 hr; (d) NaBH4, CH3OH, THF,...
Article Title: Improving metabolic stability with deuterium: The discovery of HWL‐066, a potent and long‐acting free fatty acid receptor 1 agonists
Publication Title: Chemical Biology & Drug Design -
Description Saline stability study of 99mTc‐ROX for 24 hr [Colour figure can be viewed at wileyonlinelibrary.com]
Article Title: Synthesis of 99mTc‐roxithromycin: A novel diagnostic agent to discriminate between septic and aseptic inflammation
Publication Title: Chemical Biology & Drug Design -
Description Physicochemical criteria used to tailor pocket‐specific ligand libraries
Article Title: Multi‐target, ensemble‐based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Publication Title: Chemical Biology & Drug Design -
Description Eigenvalues of the PCA correlation matrix and percentage of data dispersion described by them for the complexes at room and body temperature; the eigenvalues that were considered significant are...
Article Title: Characterization of the interaction forces in a drug carrier complex of doxorubicin with a drug‐binding peptide
Publication Title: Chemical Biology & Drug Design -
Description Titration and titration curve of lansoprazole (10 μM) with Fe(ClO4)2 in water (water/DMSO, 99:1, v/v) [Colour figure can be viewed at wileyonlinelibrary.com]
Article Title: Spectroscopic study of in situ‐formed metallocomplexes of proton pump inhibitors in water
Publication Title: Chemical Biology & Drug Design -
Description Prevention protocol used in our laboratory to establish the ability of a compound to prevent the development of cold allodynia in oxaliplatin‐treated mice. This effect is measured in the cold plate...
Article Title: Searching for analgesic drug candidates alleviating oxaliplatin‐induced cold hypersensitivity in mice
Publication Title: Chemical Biology & Drug Design -
Description Validation parameters for MIA‐QSAR models built using the optimized geometries
Article Title: 3D perspective into MIA‐QSAR: A case for anti‐HCV agents
Publication Title: Chemical Biology & Drug Design -
Description Synthesis and in vitro antileishmanial efficacy of novel quinazolinone derivativesPRINSLOO et al. - Chemical Biology & Drug DesignChem Biol Drug Des vol. 97, February 2021
Article Title: Synthesis and in vitro antileishmanial efficacy of novel quinazolinone derivatives
Publication Title: Chemical Biology & Drug Design