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.
A procedure for the complete chemical analysis of magnesium or sodium diuranate (yellow cake) sample is reported. Uranium is determined gravimetrically after peroxide precipitation. Optimum parameters, such as pH, quantity of hydrogen peroxide, volume of sample, temperature and complexing agent for quantitave precipitation of uranium, and effective separation of other elements were studied. Aluminum, Ca, Cd, Co, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Pb, and Zn were determined by flame atomic absorption spectrometer and B, Mo, SO4, REEs and Y by inductively coupled plasma atomic emission spectrometer in the filtrates of hydroxide and peroxide precipitation separation. The proposed method is accurate and the precision is characterized by an RSD of ~0.2% for U; 2 to 6% for Mg, Na, K, Ca, Fe, SiO2, Al, Cd, Co, Cr, Fe, Mn, Ni, Pb, and Zn and 3 to7% for REEs, Y, Mo and B 相似文献
An heterogeneous conducting polymer composite, poly(3-hexylthiophene)/TiO2 (P3HT/TiO2), was synthesized. The photocatalytic activity of P3HT alone and the composite was investigated for the first time by degrading a common dye under UV exposure. It was shown that the photocatalytic activity of the nanocomposites was higher compared to either the polymer or TiO2 alone. A simple mechanism was proposed to explain this observed synergetic effect. 相似文献
It is shown that the recent dualistic theory of gravitation of the author can be regarded as equivalent to the Nordström theory (1913) supplemented by additional field variables. Such a point of view not only removes certain theoretical shortcomings of the Nordström theory, but also clarifies the relationship between this theory and the Einstein theory. 相似文献
We propose a simple method to measure the angle "α" that the visual axis (VA) makes with the optical axis of the human eye. In this method, we capture the images of the pupil from three different angles, one along the VA and the other two along angles that are symmetrical with respect to the VA. These views of the pupil are captured simultaneously by a camera in a single photograph using a pair of plane mirrors. Assuming a model eye and with the help of finite ray tracing, we compute the value of α from the measured diameters of the three images of the pupil. Having a simple means to measure the value of α can be useful for optical modeling and analysis of the human eye. Measurement of the VA may also be useful in monitoring progressive myopia. 相似文献
Some Bianchi type cosmological models-two in four and one in higher dimensions-are here studied in the context of cosmic strings. The physical implications of the models are briefly discussed. It is interesting to note that cosmic strings do not occur in Bianchi type V cosmology. 相似文献
In this article we introduce the difference sequence space m(M, Δ, φ) using the Orlicz function. We study its different properties like solidity, completeness etc. Also we obtain some inclusion
relations involving the space m(M, Δ, φ).
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