Modeling of MelF structure.

<p>(A) Average structure of modeled MelF (in dimeric state). (B) Structural equilibration and atomistic simulation of MelF for 8 ns. (C) RMSF for the residues of MelF protein, which indicates the structural rigidity. Region between 150–175 residues shows considerable flexibility.</p

Change in flavin oxidoreductase activity of the purified MelF (blue bars) and WCL (red bars) in presence of inhibitors as compared to control (enzyme activity in the absence of inhibitors).

<p>Values were mean ± SD of two replicates. Among 20 inhibitors tested, 16 showed significant inhibition (P < 0.05) in enzyme activity in comparison to control; while inhibitors ^#,* revealed no inhibitory effect (P > 0.05).</p

Remesas y economía familiar en El Salvador, Guatemala y Nicaragua

Incluye Bibliografía. Versión preliminar al documento LC/MEX/L.154.Presenta una visión comparativa de los resultados de los estudios sobre la dinámica de las remesas internacionales y propone líneas de acción para fomentar el uso productivo de las remesas con fines sociales

Post-docking interactions between targeted site residues of MelF protein with compounds.

<p>The protein is depicted in transparent surface view, whereas FMN (green sticks for carbon atoms) and compounds [black sticks for carbon atoms; (A) # 5175552 (B) # 5255825 (C) # 5255829 (D) # 6492687 (E) # 6513745 (F) # 9125618] within the binding pocket. The interacting amino acids are also shown as sticks (grey color for carbon atoms). Rests of the atoms are colored as per convention.</p

Determination of cytotoxicity of the inhibitors by MTT cytotoxicity assay.

<p>Survival of HeLa cells in the presence of 1X and 5X MIC concentrations of inhibitors. INH was taken as a positive control. The experiments were done in duplicate and the data was represented as mean ± SD.</p

Secondary structural analysis of purified native MelF protein in presence and absence of inhibitors by CD spectra.

<p>Secondary structural analysis of purified native MelF protein in presence and absence of inhibitors by CD spectra.</p

Expression and purification of MelF protein using pMAL-c5x vector.

<p>(A) SDS-PAGE showing over-expressed MBP-tagged MelF protein for WCL (lane 1) and whole bacterial suspension (lane 2). (B) Western blot analysis for WCL (lane 1) and whole bacterial suspension (lane 2) for over-expressed MBP-tagged MelF Protein; M represents protein marker.</p

Enlarged view of targeted site for inhibiting MelF oxidoreductase activity.

<p>The site shown in grey wire mesh was selected as consenual site; as predicted by InCaSiteFinder, Q-SiteFinder and PocketFinder.</p

Dixon’s plots for K_i calculation.

<p>Velocity was calculated at three different substrate concentrations (50, 100 and 150 μM) using different inhibitor concentrations.</p

Structures of the top 6 compounds shortlisted by MelF flavin oxidoreductase activity and MIC/MBC determination.

<p>Structures of the top 6 compounds shortlisted by MelF flavin oxidoreductase activity and MIC/MBC determination.</p