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.
Interaction of charge transfer fluorophore N,N-dimethylaminonaphthyl-(acrylo)-nitrile (DMANAN) with globular proteins Human Serum Albumin (HSA) and Bovine Serum Albumin (BSA) brings forth a marked change in the position and intensity of band maxima both in case of absorption and fluorescence spectra. Spectroscopic approach has been elaborately implemented to explore the binding phenomena of the probe with HSA and BSA and it is found that the extent of binding of the probe to both serum albumins is similar in nature. Steady state fluorescence anisotropy values, fluorescence quenching study using acrylamide quencher and Red Edge Excitation Shift (REES) help in drawing reliable conclusions regarding the location of the probe molecule within the hydrophobic cavity of the proteins. An increase in fluorescence lifetime of the probe molecule solubilized in both the proteinous media also indicate that the probe is located at the motionally restricted environment inside the hydrophobic cavity of proteins and hence non-radiative channels are less operative than in the bulk water. Similarly, the variation of position and intensity of the emission maxima of DMANAN solubilized in micellar medium of Sodium Dodecyl Sulphate (SDS) also predicts well the critical micellar concentration (CMC) and polarity of micellar microenvironment. 相似文献
In this paper, we propose a fuzzy logic based guaranteed cost controller for trajectory tracking in nonlinear systems. Takagi–Sugeno (T–S) fuzzy model is used to represent the dynamics of a nonlinear system and the controller design is carried out using this fuzzy model. State feedback law is used for building the fuzzy controller whose performance is evaluated using a quadratic cost function. For designing the fuzzy logic based controller which satisfies guaranteed performance, linear matrix inequality (LMI) approach is used. Sufficient conditions are derived in terms of matrix inequalities for minimizing the performance function of the controller. The performance function minimization problem with polynomial matrix inequalities is then transformed into a problem of minimizing a convex performance function involving standard LMIs. This minimization problem can be solved easily and efficiently using the LMI optimization techniques. Our controller design method also ensures that the closed-loop system is asymptotically stable. Simulation study is carried out on a two-link robotic manipulator tracking a reference trajectory. From the results of the simulation study, it is observed that our proposed controller tracks the reference trajectory closely while maintaining a guaranteed minimum cost. 相似文献
We have constructed Bianchi type-III cosmological model with strange quark matter attached to the string cloud in Barber’s
(Gen. Relativ. Gravit. 14:117, 1982) second self-creation theory of gravitation which is inflationary. Further it is obtained that the theory leads to Einstein
theory at initial epoch and at infinite future. 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
The aim of this brief report is to study the behaviour of sheath structure in a multi-component plasma with dust-neutral collisions.
The plasma consists of electrons, ions, micron size negatively charged dust particles and neutrals. The sheath-edge potential
and sheath width are calculated for collisionally dominated sheath. Comparison of collisionless and collisionally dominated
sheath are made. 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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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