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.
Seperation of few carrier-free daughter isotopes from their respective parents, e.g.,132I from132Te,140La from140Ba and234Th from238U, using Adogen-464, a high molecular weight quaternary ammoaium salt by reversed phase extraction chromatographic technique is reported. 相似文献
It is shown that in the case of a spherical nonstatic fluid distribution undergoing shear-free motion the field equations in higher dimensional space-time can be reduced to a single second-order differential equation involving an arbitrary function of the radial co-ordinate. This result extends to higher dimensions a similar one obtained by Wyman and Faulkes earlier for 4D space-time. Solving this differential equation a number of new solutions is found, and the dynamical behaviour of one of the models is briefly discussed. The ansatz is later generalised to include the electromagnetic field as well. 相似文献
Thin films of titanium dioxide have been deposited on strained Si0.82Ge0.18 epitaxial layers using titanium tetrakis-isopropoxide [TTIP, Ti(O-i-C3H7)4] and oxygen by microwave plasma enhanced chemical vapor deposition (PECVD). The films have been characterized by X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Dielectric constant, equivalent oxide thickness (EOT), interface state density (Dit), fixed oxide charge density (Qf/q) and flat-band voltage (VFB) of as-deposited films were found to be 13.2, 40.6 Å, 6×1011 eV−1 cm−2, 3.1×1011 cm−2 and −1.4 V, respectively. The capacitance–voltage (C–V), current–voltage (I–V) characteristics and charge trapping behavior of the films under constant current stressing exhibit an excellent interface quality and high dielectric reliability making the films suitable for microelectronic applications. 相似文献
We have studied isospin symmetry violation in nuclear reactions by measuring simultaneously the cross-section of the following
two reactionsp +d →3H π+ andp +d →3He π0. The experiment was perfomed at the cooler synchrotron accelerator COSY, Jülich at several beam energies close to the correspondingη production threshold. We also have ongoing programmes onη-nucleus final-state interaction studies viap+6 Li →7 Be +η reactions, high resolution search for dibaryonic resonances and lambda-proton final state interaction studies. The experimental
details and results obtained so far are presented here 相似文献
The scaled factorial moments and the multifractal moments have been investigated in differentη-intervals to study the dynamical fluctuation of pions produced in 200 AGeV32S-Ag/Br interaction. In order to investigate the detail characteristics of intermittency behaviour, theF-moments are extracted up to the eighth order of moments in differentM-intervals. The analysis indicates a non-thermal phase transition and different regime of particle production during the hadronisation process. 相似文献
A search for new isomers of nanosecond lifetimes were carried out in 153Eu via the 150Nd(7Li,xnγ) reaction. The single particle angular momentum alignment and dynamical moment of inertia estimated from the experimental
data indicate a configuration change at rotational energy ħω∼ 0.30 MeV. A decrease of B(E2) values is also observed at the
same frequency. An isomeric level is identified at an excitation energy of 3100 keV (Jπ=35/2−) which corresponds to this frequency. The lifetime of the level is found to be 8.6 ± 1.3 nanosecond.
Received: 22 April 1997 / Revised version: 26 September 1997 相似文献
The analogue of the 0+ ground state in 118Sn has been observed in the compound nucleus 118Sb through 117Sn(p,n γ) 117Sb reaction. The neutron decays of this analogue resonance have been studied from the deexciting γ-rays of the residual nucleus 117Sb. From off resonance excitation functions, spin assignments have been made to states in 117Sb, on the basis of Hauser-Feshbach formalism. The resonance parameters of the isobaric analogue resonance have been determined, including the total, proton and neutron decay widths. 相似文献
We have initiated a search for a new type of nuclear matter, theη-mesic nucleus, using beams from the multi-GeV hadron facility, COSY at Juelich, Germany. A large acceptance scintillator detector, ENSTAR has been designed and built at BARC, Mumbai and fully assembled and tested at COSY. A test run for calibration and evaluation has been completed. In this contribution we present the design and technical details of the ENSTAR detector and how it will be used to detect protons and pions (the decay products ofη-mesic bound state). The detector is made of plastic scintillators arranged in three concentric cylindrical layers. The readout of the detectors is by means of optical fibres. The layers are used to generate ΔE –E spectra for particle identification and total energy information of stopped particles. The granularity of the detector allows for position (θ and ?ø determination making the event reconstruction kinematically complete 相似文献