The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present study is mainly intended to identify the bioactive phytocompounds from traditional antiviral herb Houttuynia cordata Thunb. as potential inhibitors for three main replication proteins of SARS-CoV-2, namely Main protease (Mpro), Papain-Like protease (PLpro) and ADP ribose phosphatase (ADRP) which control the replication process. A total of 177 phytocompounds were characterized from H. cordata using GC–MS/LC–MS and they were docked against three SARS-CoV-2 proteins (receptors), namely Mpro, PLpro and ADRP using Epic, LigPrep and Glide module of Schrödinger suite 2020-3. During docking studies, phytocompounds (ligand) 6-Hydroxyondansetron (A104) have demonstrated strong binding affinity toward receptors Mpro (PDB ID 6LU7) and PLpro (PDB ID 7JRN) with G-score of???7.274 and???5.672, respectively, while Quercitrin (A166) also showed strong binding affinity toward ADRP (PDB ID 6W02) with G-score -6.788. Molecular Dynamics Simulation (MDS) performed using Desmond module of Schrödinger suite 2020–3 has demonstrated better stability in the ligand–receptor complexes A104-6LU7 and A166-6W02 within 100 ns than the A104-7JRN complex. The ADME-Tox study performed using SwissADMEserver for pharmacokinetics of the selected phytocompounds 6-Hydroxyondansetron (A104) and Quercitrin (A166) demonstrated that 6-Hydroxyondansetron passes all the required drug discovery rules which can potentially inhibit Mpro and PLpro of SARS-CoV-2 without causing toxicity while Quercitrin demonstrated less drug-like properties but also demonstrated as potential inhibitor for ADRP. Present findings confer opportunities for 6-Hydroxyondansetron and Quercitrin to be developed as new therapeutic drug against COVID-19.
Journal of Algebraic Combinatorics - The symbolic powers, in general, are not equal to the ordinary powers. Therefore, one interesting question here is for what classes of ideals ordinary and... 相似文献
An Nd:YAG laser-pumped periodically poled RbTiOAsO4 (PPRTA) optical parametric oscillator (OPO) near degeneracy is reported. At a pump power of 3.7 W, a net conversion efficiency of 43% was obtained. These crystals were found to be phase-matchable for the higher order quasi-phase-matched second-harmonic generation (SHG) in the visible range. Detailed analyses of the phase-matching properties for these processes were made by using the published Sellmeier and thermo-optic dispersion formulas. 相似文献
The weakly pinned single crystals of the hexagonal 2H-NbSe2 compound have emerged as prototypes for determining and characterizing the phase boundaries of the possible order-disorder
transformations in the vortex matter. We present here a status report based on the ac and dc magnetization measurements of
the peak effect phenomenon in three crystals of 2H-NbSe2, in which the critical current densities vary over two orders of magnitude. We sketch the generic vortex phase diagram of
a weakly pinned superconductor, which also utilizes theoretical proposals. We also establish the connection between the metastability
effects and pinning. 相似文献
Steady state temperature distribution in a model Czochralski crucible has been mapped by liquid crystal thermography (LCT).
The crucible is a water-filled glass beaker. Water is used as the test fluid because of ease of experimentation, as well as
the availability of correct thermo-physical properties. In addition, the Prandtl number of water matches those of molten oxides.
A copper cylinder whose diameter is smaller than that of the beaker is placed centrally at the water surface. Convection patterns
are set up by applying constant temperature difference between the crucible wall and the cylinder surface, in the temperature
range of the liquid crystals. The cylinder is given a fixed rotation, thus creating mixed convection conditions in the test
fluid. The LCT images recorded in the present study clearly reveal convective rolls, and the interaction of buoyancy-driven
convection in the crucible with cylinder rotation. The resulting temperature distributions match numerical simulation quite
well. The pure buoyancy and pure rotation experiments result in axisymmetric temperature fields, while in mixed convection,
the field is unsteady and three dimensional. 相似文献
This is summary of the activities of the working group on collider physics in the IXth Workshop on High Energy Physics Phenomenology
(WHEPP-9) held at the Institute of Physics, Bhubaneswar, India in January 2006. Some of the work subsequently done on these
problems by the subgroups formed during the workshop is included in this report. 相似文献
Swift heavy ions (SHI) with electronic energy loss exceeding a value of 14.4 keVnm−1 create amorphized latent tracks in YBCO type superconductors. In the low fluence regime of an ion beam where tracks do not overlap, a decrease of the superconducting transition temperature as probed through resistivity studies, is not expected due to availability of percolating current paths. The present study however shows Tc decrease by about 1–3 K in thin films of YBCO when irradiated by 250 MeVAg ions at 79 K at a fluence of 5×1010–1×1012 ionscm−2. The highest fluence used in the present study is three times less than the fluence where track overlapping becomes significant. The Tc tends to increase towards the preirradiation value on annealing the films at room temperature. To explain this unusual result, we consider the effect of ion irradiation in inducing materials modification not only through creation of amorphized latent tracks along the ion path, but also through creation of atomic disorder in the oxygen sublattice in the Cu–O chains of YBCO by the secondary electrons. These electrons are emitted radially from the tracks during the passage of the SHI. Considering the correlation between the charge state of copper and its oxygen coordination, we show in particular that the latter process is a consequence of the inelastic interaction of the SHI induced low-energy secondary electrons with the YBCO lattice, which result in chain oxygen disorder and Tc decrease. 相似文献
We consider the effects of quark masses to the perturbative thrust in e+e− annihilation. In particular we show that perturbative power corrections resulting from non-zero quark masses considerably
alters the size of the non-perturbative power corrections and consequently, significantly changes the fitted value of αs. 相似文献
Using the notion of weighted sharing of sets we prove two uniqueness theorems which improve the results proved by Fang and Qiu [H. Qiu, M. Fang, A unicity theorem for meromorphic functions, Bull. Malaysian Math. Sci. Soc. 25 (2002) 31-38], Lahiri and Banerjee [I. Lahiri, A. Banerjee, Uniqueness of meromorphic functions with deficient poles, Kyungpook Math. J. 44 (2004) 575-584] and Yi and Lin [H.X. Yi, W.C. Lin, Uniqueness theorems concerning a question of Gross, Proc. Japan Acad. Ser. A 80 (2004) 136-140] and thus provide an answer to the question of Gross [F. Gross, Factorization of meromorphic functions and some open problems, in: Proc. Conf. Univ. Kentucky, Lexington, KY, 1976, in: Lecture Notes in Math., vol. 599, Springer, Berlin, 1977, pp. 51-69], under a weaker hypothesis. 相似文献