Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization,molecular docking and molecular dynamics simulation

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.

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浅谈合情推理的教学

论述了合情推理与逻辑推理的关系、在高等数学教学中渗透合情推理的意义 ,并结合教学实践就通过合情推理引入数学理论 ,探求问题结论 ,探索解题方法作了初步探讨     

一种新型彩色三维光学成像系统

提出一种新型三维彩色光学数字成像系统。此系统利用投影结构光对现实世界中的物体进行数字化，同时得到对应的彩色纹理。详细介绍了系统的硬件设计和软件体系结构设计，得到物体彩色纹理的两种不同方法；直接获取和从编码条纹中提取，给出了用该系统得到的实验结果并简单评价了系统的性能。此系统在反求工程、影视制作、三维游戏制作、医学应用等方面有远大的应用前景。     

Three New Polyoxygenated Steroids from Two Species of the South China Sea Gorgonian Muricella flexuosa and Menella verrucosa Brundin

Three new polyoxygenated steroids, muricesteroid ( 1 ), and menellsteroids A ( 2 ) and B ( 3 ), were isolated from two species of the South China Sea gorgonian Muricella flexuosa and Menella verrucosa Brundin , respectively. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analysis, chemical methods and comparison with known related compounds.     

Orbital Stability of Solitary Waves for Generalized Zakharov System

In the interaction of laser-plasma the system of Zakharov equation plays an important role.This system attracted many scientists' wide interest and attention.And the formation, evolution and interaction of the Langmuir solutions differ from solutions of the KDV equation. Here we consider the following generalized Zakharov system     

Ultrasound imaging and evaluation of lesion induced by High Intensity Focused Ultrasound

The present study was to investigate the differential imaging method for detecting HIFU (High Intensity Focused Ultrasound)-induced lesions and the estimation of variation of attenuation for lesion evaluation with log spectral difference algorithm. Experiment results of bovine muscle and liver in vitro were acquired. Several algorithms for lesion detection - Absolute Difference (AD), Sum Absolute Differences (SAD) and Sum Squared Differences (SSD) - were analyzed with several window sizes and threshold values. Then three attenuation parameters were compared to evaluate the degree of tissue damage. It was found that variation of the mean attenuation △α was an effective parameter to evaluate lesions.     

Crystallographic report: catena‐Aqua(2,2′‐bipyrimidine)lithium(I) perchlorate

A lithium(I) coordination polymer has been formed from LiClO₄ and the 2,2′‐bipyrimidine (bpym) ligand in which each square pyramidal lithium(I) atom is coordinated in the basal plane by four nitrogen donor atoms derived from two bpym ligands and one water molecule at the apical position. These are connected into a layer structure via hydrogen‐bonding interactions involving the perchlorate anions. Copyright © 2004 John Wiley & Sons, Ltd.     

Roles of rhenium diimine complexes as metal‐ion probes and photosensitizers in functional polyurethanes

Polyurethanes incorporated with rhenium diimine complexes were synthesized. The polymers exhibited interesting morphologies and solution properties. Results from gel permeation chromatography suggested the formation of polymer aggregates in solutions. The polymers could act as probes for metal ions. The addition of metal ions to polymer solutions led to significant changes in the electronic absorption properties of the polymer solutions. This was attributed to the interactions between the polyether moieties and metal ions. The metal complexes could also act as efficient photosensitizers. After doping with charge‐transport viologens, the photoconductivity of the polymers was greatly enhanced. The experimental quantum efficiency was simulated with Onsager's theory. The thermalization distances and the primary yields were typically 12–14 Å and 10^?3, respectively. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 1708–1715, 2003     

Crystallographic report: Diiodo[tris(2‐pyridyl)amine]mercury(II), [(C5H4N)3N]HgI2

In mononuclear HgI₂[(C₅H₄N)₃N], mercury is tetrahedrally coordinated by two nitrogen atoms of a tris(2‐pyridyl)amine ligand and two iodides. The coordination moieties are connected by weak intermolecular Hg(II)···I interactions to give a one‐dimensional structure. Copyright © 2003 John Wiley & Sons, Ltd.     

有限循环群的Fuzzy子群的等价类数

有限循环群G的F子群可以有无数个．但是．若当两个F子群的水平集构成的集合相等就称其等价的话，那么其等价类数是有限的。通过研究群的合成群列、商群列以及数的因数列和极大因数列找出了有限循环群的极大F子群和F子群的等价类数的求解公式．并给出二者之间的关系式．