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1.
Navkiran Kaur Mansimran Khokhar Vaibhav Jain P. V. Bharatam Rajat Sandhir Rupinder Tewari 《Applied biochemistry and biotechnology》2013,171(2):417-436
Emergence of the multidrug-resistant pathogens has rendered the current therapies ineffective thereby, resulting in the need for new drugs and drug targets. The accumulating protein sequence data has initiated a drift from classical drug discovery protocols to structure-based drug designing. In the present study, in silico subtractive genomics approach was implemented to find a set of potential drug targets present in an opportunist bacterial pathogen, Acinetobacter baumannii (A. baumannii). Out of the 43 targets identified, further studies for protein model building and lead-inhibitor identification were carried out on two cell-essential targets, MurA and MurB enzymes (of A. baumannii designated as MurAAb and MurBAb) involved in the peptidoglycan biosynthesis pathway of bacteria. The homology model built for each of them was further refined and validated using various available programs like PROCHECK, Errat, ProSA energy plots, etc. Compounds showing activity against MurA and MurB enzymes of other organisms were collected from the literature and were docked into the active site of MurAAb and MurBAb enzymes. Three inhibitors namely, T6361, carbidopa, and aesculin, showed maximum Glide score, hydrogen bonding interactions with the key amino acid residues of both the enzymes and acceptable ADME properties. Furthermore, molecular dynamics simulation studies on MurAAb–T6361 and MurBAb–T6361 complexes suggested that the ligand has a high binding affinity with both the enzymes and the hydrogen bonding with the key residues were stable in the dynamic condition also. Therefore, these ligands have been propsed as dual inhibitors and promising lead compounds for the drug design against MurAAb and MurBAb enzymes. 相似文献
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Anurag Shukla Urvashi Arora N. Sukavanam 《Journal of Applied Mathematics and Computing》2015,49(1-2):513-527
This paper deals with the approximate controllability of retarded semilinear stochastic system with nonlocal conditions in Hilbert Spaces under the assumption that the corresponding linear system is approximately controllable. The control function for this system is suitably constructed by using the infinite dimensional controllability operator. With this control function, the sufficient conditions for the approximate controllability of the proposed problem in Hilbert Space are established. The results are obtained by using Banach fixed point theorem. Finally, two examples are provided to illustrate the application of the obtained results. 相似文献
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R. K. Mohanty Samir Karaa Urvashi Arora 《Numerical Methods for Partial Differential Equations》2007,23(3):640-651
This article develops a new two‐level three‐point implicit finite difference scheme of order 2 in time and 4 in space based on arithmetic average discretization for the solution of nonlinear parabolic equation ε uxx = f(x, t, u, ux, ut), 0 < x < 1, t > 0 subject to appropriate initial and Dirichlet boundary conditions, where ε > 0 is a small positive constant. We also propose a new explicit difference scheme of order 2 in time and 4 in space for the estimates of (?u/?x). The main objective is the proposed formulas are directly applicable to both singular and nonsingular problems. We do not require any fictitious points outside the solution region and any special technique to handle the singular problems. Stability analysis of a model problem is discussed. Numerical results are provided to validate the usefulness of the proposed formulas. © 2006 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2007 相似文献
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Urvashi Raina Sushma Bhat P. N. Kotru P. Franzosi F. Licci 《Crystal Research and Technology》1996,31(6):783-788
Results of X-ray diffraction topography, in reflection and transmission scanning geometry, of flux grown single crystals of substituted and unsubstituted hexaferrites bearing composition SrGaxInyFe12-(x+y)O19 (where x = 0, 5, 7, 9; y = 0, 0.8, 1.3, 1.0) are presented. Diffraction topographs reveal defects like misoriented grains, dislocations, cavities, inclusions, and the strain patterns in these crystals. The unsubstituted hexaferrites exhibit better perfection when compared to the substituted ones. The study is reported to support the results obtained by chemical etching and fractography, besides yielding additional information covering defects. 相似文献
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Urvashi Narain 《Natural Resource Modeling》1993,7(2):187-189
Land Resource Economics and Sustainable Development: Economic Policies and the Common Good, G. Cornelis van Kooten, UBC Press, Vancouver, 1993, 450 pp. 相似文献
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A layer of compressible, rotating, elastico-viscous fluid heated & soluted from below is considered in the presence of vertical magnetic field to include the effect of Hall currents. Dispersion relation governing the effect of viscoelasticity, salinity gradient, rotation, magnetic field and Hall currents is derived. For the case of stationary convection, the Rivlin-Erickson fluid behaves like an ordinary Newtonian fluid. The compressibility, stable solute gradient, rotation and magnetic field postpone the onset of thermosolutal instability whereas Hall currents are found to hasten the onset of thermosolutal instability in the absence of rotation. In the presence of rotation, Hall currents postpone/hasten the onset of instability depending upon the value of wavenumbers. Again, the dispersion relation is analyzed numerically & the results depicted graphically. The stable solute gradient and magnetic field (and corresponding Hall currents) introduce oscillatory modes in the system which were non-existent in their absence. The case of overstability is discussed & sufficient conditions for non-existence of overstability are derived. 相似文献
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The diamondback moth, Plutella xylostella (L.) (Lepidoptera: Yponomeutidae) is the most serious pest of cruciferous crops grown in the world causing economic yield loss. Several synthetic insecticides have been used against P. xylostella but satisfactory control was not achieved due to development of resistance to insecticides. Therefore, the present study was carried out to screen different fractions of Zanthoxylum armatum for their insecticidal activities against second instar larvae of P. xylostella. Results indicate, all the fractions showed activity to P. xylostella. However, n-hexane fraction of Z. armatum showed maximum larvicidal activity with minimum LC50 value of 2988.6 ppm followed by ethanol (LC50 = 12779.7 ppm) and methanol fraction (LC50 = 12908.8 ppm) whereas chloroform fraction was least toxic (LC50 = 16750.6 ppm). The GC–MS analysis of n-hexane fraction of leaf extract showed maximum larvicidal activity, which may be due to two major compounds i.e. 2-undecanone (19.75%) and 2-tridecanone (11.76%). 相似文献
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Dr. Matthew E. Potter Sofia Mediavilla Madrigal Dr. Emma Campbell Lisa J. Allen Urvashi Vyas Dr. Stephen Parry Adrián García-Zaragova Dr. Luis M. Martínez-Prieto Dr. Pascual Oña-Burgos Mads Lützen Dr. Christian D. Damsgaard Prof. Enrique Rodríguez-Castellón Dr. Nicola Schiaroli Dr. Giuseppe Fornasari Dr. Patricia Benito Prof. Andrew M. Beale 《Angewandte Chemie (International ed. in English)》2023,62(45):e202312645
CO2 hydrogenation to methanol has the potential to serve as a sustainable route to a wide variety of hydrocarbons, fuels and plastics in the quest for net zero. Synergistic Pd/In2O3 (Palldium on Indium Oxide) catalysts show high CO2 conversion and methanol selectivity, enhancing methanol yield. The identity of the optimal active site for this reaction is unclear, either as a Pd−In alloy, proximate metals, or distinct sites. In this work, we demonstrate that metal-efficient Pd/In2O3 species dispersed on Al2O3 can match the performance of pure Pd/In2O3 systems. Further, we follow the evolution of both Pd and In sites, and surface species, under operando reaction conditions using X-ray Absorption Spectroscpy (XAS) and infrared (IR) spectroscopy. In doing so, we can determine both the nature of the active sites and the influence on the catalytic mechanism. 相似文献