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101.
Dasgupta S Banerjee K Utture S Kusari P Wagh S Dhumal K Kolekar S Adsule PG 《Journal of chromatography. A》2011,1218(38):6780-6791
102.
Megha Sen Chowdhury Dr. Selcuk Gumus Dr. Sanchari Dasgupta Dr. Ishani Majumder Dr. Abir Bhattacharya Dr. Debasis Das Dr. Jayanta Mukhopadhyay Dr. Debosreeta Bose Dr. Saumya Dasgupta Dr. Yuksel Akinay Dr. Madhumita Mukhopadhyay 《ChemistryOpen》2022,11(6):e202200033
We report, for the first time, a detailed crystallographic study of the supramolecular arrangement for a set of zinc(II) Schiff base complexes containing the ligand 2,6-bis((E)-((2-(dimethylamino)ethyl)imino)methyl)-4-R-phenol], where R=methyl/tert-butyl/chloro. The supramolecular study acts as a pre-screening tool for selecting the compartmental ligand R of the Schiff base for effective binding with a targeted protein, bovine serum albumin (BSA). The most stable hexagonal arrangement of the complex [Zn − Me] (R=Me) stabilises the ligand with the highest FMO energy gap (ΔE=4.22 eV) and lowest number of conformations during binding with BSA. In contrast, formation of unstable 3D columnar vertebra for [Zn − Cl] (R=Cl) tend to activate the system with lowest FMO gap (3.75 eV) with highest spontaneity factor in molecular docking. Molecular docking analyses reported in terms of 2D LigPlot+ identified site A, a cleft of domains IB, IIIA and IIIB, as the most probable protein binding site of BSA. Arg144, Glu424, Ser428, Ile455 and Lys114 form the most probable interactions irrespective of the type of compartmental ligands R of the Schiff base whereas Arg185, Glu519, His145, Ile522 act as the differentiating residues with ΔG=−7.3 kcal mol−1. 相似文献
103.
Mala Parab Saliha S. Pathan Ramanpreet Kaur Panesar Santosh S. Chhajed Debjani Dasgupta Pramodkumar P. Gupta 《印度化学会志》2022,99(1):100276
Off the different types cancers 40% of the population have been observed to be affected by leukemia. Contemporary therapeutics is focusing on generation of new synthetic analogues that can exert maximum positive physiological effect with minimum dosage and negligible deleterious side effects. New generation pharmacists are focusing on such promising effects of Imatinib (a potential anti-cancer drug molecule), Dasatinib, Pelitinib and Nilotinib. The present research study focuses on novel synthesized anilides derivative against BCR-ABL kinase as potential anti-leukemic agent. Validation of the compounds by molecular docking with specific BCR-ABL kinase confirmed their activity. Toxicity prediction of these compounds helped to identify sustainability as therapeutic molecules. The IC50 values were calculated (211 ug, 175 ug, 272ug for compounds A, B, C resp.) and the mode of cell death was gauged by DNA laddering assay. The cells were observed to be induced for programmed cell death. By validating and in-vivo testing of three synthesized compounds, the compound B was observed to be more stable thermodynamically with a potentially vital active site and appears to be a promising anti-leukemic factor. The present research thus lays a preliminary platform in world of pharmaceutics, where these new analogues appear to be efficient, target specific and less toxic molecules. 相似文献
104.
The protein, hen egg white lysozyme, on photoexcitation undergoes electron transfer with menadione (2-methyl-1,4-naphthoquinone), a widely known anticancer drug. With the addition of menadione the fluorescence of lysozyme is quenched with the simultaneous formation of an excited state charge-transfer complex in the longer wavelength and a ground state complex. The former is further evident from laser flash photolysis studies, which indicate a tryptophan to menadione electron transfer. From fluorescence quenching studies the binding constant is found to be ∼1.7×104 M−1 with the corresponding changes in enthalpy (ΔH°) and entropy (ΔS°) as 12.24 kJ mol−1 and 124.12 J mol−1 K−1, respectively, indicative of an entropy-driven process. The circular dichroism studies also show some structural changes with increase in α-helical content in the protein on interaction with menadione. Finally, docking studies give some insight into the role of Trp 108 of lysozyme in the interaction. 相似文献
105.
106.
Meccanica - Eccentric shaft-disk system with internal damping driven by a non-ideal power source exhibits Sommerfeld effect characterized by nonlinear jump phenomena of amplitude and rotor speed... 相似文献
107.
Mary Kurian Arnab Dasgupta Frederick L. Beyer Mary E. Galvin 《Journal of Polymer Science.Polymer Physics》2004,42(22):4075-4083
The morphological behavior of a series of polymer‐layered silicate nanocomposites (PLSNs) has been investigated. The goal was to probe the effect of “textured” silicate surfaces on PLSN morphology. The nanocomposites were fabricated by mixing montmorillonite clay that was carefully modified with tailor‐made polystyrene (PS) surfactants into a PS homopolymer matrix, where the chemical similarity of the matrix polymer and surfactants assures complete miscibility of surfactant and homopolymer. To examine the effect of silicate surface “texture,” clay was modified with combinations of long and short surfactants. The samples were then direct melt annealed to allow the equilibrium morphology to develop, and characterized by small‐angle X‐ray scattering. Based on the implications of the Balazs model and other work on the wetting behavior of polymer melts with longer surfactants and textured surfaces we expected that the intercalation of the homopolymer matrix material into the modified clay would be promoted. Extensive characterization of both the modified clays as well as the resultant nanocomposites clearly show that the modified clays exhibit a high degree of order, but also that only phase‐separated morphologies are formed in the corresponding nanocomposites. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 4075–4083, 2004 相似文献
108.
It is shown that starting from a Fourier transform relation one can derive, in a surprisingly simple manner, all the well-known
results of lattice summation, that have been obtained so far by a complicated use of the Ewald theta transformation. We show
that the Ewald transformation follows directly from the Fourier transform relation. 相似文献
109.
Spatial noncommutativity is similar and can even be related to the non- Abelian nature of multiple D-branes. But they have
so far seemed independent of each other. Reflecting this decoupling, the algebra of matrix valued fields on noncommutative
space is thought to be the simple tensor product of constant matrix algebra and the Moyal-Weyl deformation. We propose scenarios
in which the two become intertwined and inseparable. Therefore the usual separation of ordinary or noncommutative space from
the internal discrete space responsible for non-Abelian symmetry is really the exceptional case of an unified structure. We
call it non-Abelian geometry. This general structure emerges when multiple D-branes are configured suitably in a flat but varying B field background, or in the presence of non-Abelian gauge field background. It can also occur in connection with Taub-NUT
geometry. We compute the deformed product of matrix valued functions using the lattice string quantum mechanical model developed
earlier. The result is a new type of associative algebra defining non-Abelian geometry. A possible supergravity dual is also
discussed.
Received: 13 December 2000 / Accepted: 24 October 2002 Published online: 24 January 2003
Communicated by R. H. Dijkgraaf 相似文献
110.