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Identification of Potential Flavonoid Inhibitors of the SARS-CoV-2 Main Protease 6YNQ:A Molecular Docking Study

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Digital Chinese Medicine 2020年第4期3卷 239-248页

作者： SUMIT arora GOVIND Lohiya KESHAV Moharir SAPAN Shah SUBHASH Yende Pharmacognosy and Phytochemistry Department Gurunanak College of PharmacyNagpurMaharashtra 440026India Pharmaceutics Department Gurunanak College of PharmacyNagpurMaharashtra 440026India Pharmaceutical Chemistry Department Priyadarshini J.L.College of PharmacyNagpurMaharashtra 440016India Pharmacology Department Gurunanak College of PharmacyNagpurMaharashtra 440026India

Obj.ctive Severe acute respiratory syndrome coronavirus 2(SARS-CoV-2),the causative agent for coronavirus disease 2019(COVID-19),is responsible for the recent global *** there are no effective drugs or vaccines available for SARS-CoV-2,we investigated the potential of flavonoids against SARS-CoV-2 main protease *** In silico molecular simulation study against SARS-CoV-2 main protease *** Among the 21 selected flavonoids,rutin demonstrated the highest binding energy(−8.7 kcal/mol)and displayed perfect binding with the catalytic *** Our study demonstrates the inhibitory potential of flavonoids against SARS-CoV-2 main protease *** computational simulation studies support the hypothesis that flavonoids might be helpful for the treatment of COVID-19.

关键词： COVID-19 SARS-CoV-2 Protease 6YNQ In silico Molecular simulation Virtual drug screening Flavonoids

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工程数据库管理综述

计算机科学 1986年第4期 58-65页

作者： T.Sreekanta Murthy j.S.arora 诸忠

工程领域的数据库管理变得极其重要。对这一课题和计算机辅助设计应用已发表了诸多报告和文章。现在重要的是了解技术现状,以便充分利用这一新领域的益处。本文系工程应用数据库管理文献综述。此综述包括数据库管理概念及数据库管理系... 详细信息

工程领域的数据库管理变得极其重要。对这一课题和计算机辅助设计应用已发表了诸多报告和文章。现在重要的是了解技术现状,以便充分利用这一新领域的益处。本文系工程应用数据库管理文献综述。此综述包括数据库管理概念及数据库管理系统。评述了与诸如数据库设计方法论、数据模型、数据定义与操纵语言、数据库完整性与一致性有关领域中多方面作者的研究工作。统观了目前使用中的各种形式的数据库管理系统(共计15个)并列表给出其特性。强调了这些系统的能力和有用性。此综述意在为工程界提供数据管理领域中的重大发展。此外,这对目前从事这一课题研究的人亦不无益处。

关键词：数据库管理系统数据定义 DML DDL 数据操纵计算机系统工程数据库专用数据库数据集预编译程序 DBMS 数据库设计方法数据模型随机存取文件计算机辅助设计计算机辅助技术数据管理数据处理 CAD 程序员管理综述

Pseudoceramines A-D,new antibacterial bromotyrosine alkaloids from the marine sponge Pseudoceratina sp

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Pseudoceramines A-D,new antibacterial bromotyrosine alkaloid...

2011年全国药物化学学术会议——药物的源头创新

作者：尹胜 rohan A.Davis Todd Shelper Melissa L.Sykes Vicky M.Avery Mikael Elofsson Charlotta Sundin Ronald j.Quinn School of Pharmaceutical Sciences Sun Yat-Sen University Eskitis Institute Griffith UniversityBrisbaneQLD 4111Australia Laboratories for Chemical Biology Umea Umea Centre for Microbial ResearchLaboratories for Molecular Infection Medicine Sweden and Department of ChemistryUmea UniversitySE-90187 UmeaSweden

Bioassay guided fractionation of the CHCI/MeOH extract of Australian marine sponge Pseudoceratina *** in the purification of four new bromotyrosine alkaloids, pseudoceramines A-D(1-4),along with a known natural produc... 详细信息

关键词： sponge Pseudoceratina sp. bromotyrosine alkaloids antibiotics

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生物量能源

科学与社会 1988年第4期 3-12页

作者： j.O.B. Carioca P. V. PannirSelvan H. L. arora E. j. DaSilva 聂世芳塞阿拉联邦大学物理化学系塞阿拉联邦大学塞阿拉联邦大学物理化学系世界菌种保藏基金会(WFCC) 教授访问研究教授教授、非传统能源中心副协调人前任副会长联合国教科文组织科研高教分会成员、微生物学家

薪材、农作物废弃物和动物干粪等形式的生物量是大约20亿人或世界几乎一半人口的主要燃料来源。它也能转变成更合适的燃料,如沼气和乙醇(亦称绿色汽油),以取代或补充化石能源。然而,日益增加生物量在能源生产中的应用却为一些重大社会... 详细信息

薪材、农作物废弃物和动物干粪等形式的生物量是大约20亿人或世界几乎一半人口的主要燃料来源。它也能转变成更合适的燃料,如沼气和乙醇(亦称绿色汽油),以取代或补充化石能源。然而,日益增加生物量在能源生产中的应用却为一些重大社会道德问题所困扰。分散的农工综合系统也许是未来开发生物量能源的一种最可行的途径。

关键词：能源粮食生物量现存量

Exploring the phytoconstituents targeting TNF-αas potential lead compounds to treat inflammatory diseases:an in-silico approach

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Digital Chinese Medicine 2022年第3期5卷 264-275页

作者： Sumit arora Pallavi Rushiya Kalpana Tirpude Nidhi Sapkal Subhash Yende Abhay Ittadwar Sapan Shah Department of Pharmacognosy and Phytochemistry Gurunanak College of PharmacyNagpurMaharashtra 440026India Department of Pharmaceutical Chemistry Gurunanak College of PharmacyNagpurMaharashtra 440026India Department of Pharmacology Gurunanak College of PharmacyNagpurMaharashtra 440026India Department of Pharmaceutical Chemistry Priyadarshini J.L.College of PharmacyNagpurMaharashtra 440016India

Obj.ctive To explore the anti-inflammatory phytoconstituents from various plant sources as tumour necrosis factor-α(TNF-α)-inhibitor,a mediator involved in the inflammatory disorder,by in silico molecular *** Based on previous findings,we performed the in silico assessment of anti-inflammatory phytoconstituents from different medicinal plants to understand their binding patterns against TNF-α(PDB ID:6OP0)using AutoDock *** docking was performed by setting a grid box(25×25×25)Åcentered at[-12.817×(-1.618)×19.009]A with 0.375A of grid ***,Discovery Studio Client 2020 program was utilized to assess two-and three-dimensional(2D and 3D)hydrogen-bond interactions concerning an amino acid of target and *** properties were reported using the Lipinski’s rule and SwissADME database to support the in silico *** From the selected medicinal plants,more than 200 phytocompounds were screened against TNF-α protein with binding scores in the range of -12.3 to -2.5 kcal/*** them,emodin,aloe-emodin,pongamol,purpuritenin,semiglabrin,ellagic acid,imperatorin,α-tocopherol,and octanorcucurbitacin A showed good binding affinity as -10.6,-10.0,-10.5,-10.1,-11.2,-10.3,-10.1,-10.1,and -10.0 kcal/mol,***,the absorption,distribution,metabolism,excretion,and toxicology(ADMET)profiles were well within acceptable *** Based on our preliminary findings,we conclude that the selected phytoconstituents have the potential to be good anti-inflammatory candidates by inhibiting the TNF-α *** compounds can be further optimized and validated as new therapeutic components to develop more effective and safe anti-inflammatory drugs.

关键词： Inflammation Tumour necrosis factor-α(TNF-α) Medicinal plants Phytoconstituents Molecular docking Absorption,distribution,metabolism,excretion,and toxicology(ADMET) studies

超声对腕管综合征的评估:病人与健康志愿者正中神经横断面积测量的价值

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国际医学放射学杂志 2009年第2期32卷 179-180页

作者： A.S.Klauser E.j.Halpern T.De Zordo G.M.Feuchtner R.arora j. Gruber 陈聪 Departments of Diagnostic Radiology Medical University Innsbruck

目的通过比较腕管水平及近端旋前方肌水平正中神经横断面积（CSA）以提高诊断腕管综合征（CTS）的准确性。方法研究方案获机构审查委员会的批准，并得到所有被检查者的书面知情同意。68例连续的CTS病人的100个手腕（男16例，女52例... 详细信息

目的通过比较腕管水平及近端旋前方肌水平正中神经横断面积（CSA）以提高诊断腕管综合征（CTS）的准确性。方法研究方案获机构审查委员会的批准，并得到所有被检查者的书面知情同意。68例连续的CTS病人的100个手腕（男16例，女52例；平均年龄57．9岁，范围25～85岁）和58名健康志愿者的93个手腕（男16例，女42例；

关键词：腕管综合征健康志愿者正中神经面积测量评估超声横断面积旋前方肌

前列腺MRI的PI-RADS在26个中心检测的阳性预测值差异:腹部放射学学会前列腺疾病聚焦小组的经验

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国际医学放射学杂志 2020年第5期 609-610页

作者： A.C.Westphalen C.E.McCulloch j.M.Anaokar S.arora N.S.Barashi j.O.Barentsz 刘思睿 Departments of Radiology and Biomedical Imaging University of CaliforniaSan Francisco

摘要前列腺MRI广泛应用于指导前列腺癌病人的组织活检、病情监测和肿瘤分期。前列腺成像报告和数据系统(PI-RADS)有助于提供一种标准化的概率性方法来识别有

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Identification of recombination hotspots and quantitative trait loci for recombination rate in layer chickens

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j.urnal of Animal Science and Biotechnology 2019年第2期10卷 314-326页

作者： Ziqing Weng Anna Wolc Hailin Su rohan L.FernANDo j.ck C.M.Dekkers j.sus Arango Petek Settar j.net E.Fulton Neil P.O’Sullivan Dorian j.Garrick Department of Animal Science Iowa State UniversityAmesIA 50010USA Hy-Line International Dallas CenterIA 50063USA AL Rae Centre for Genetics and Breeding Massey UniversityPalmerston North 4442New Zealand.

Background: The frequency of recombination events varies across the genome and between individuals, which may be related to some genomic features. The obj.ctive of this study was to assess the frequency of recombination events and to identify QTL(quantitative trait loci) for recombination rate in two purebred layer chicken ***: A total of 1200 white-egg layers(WL) were genotyped with 580 K SNPs and 5108 brown-egg layers(BL)were genotyped with 42 K SNPs(single nucleotide polymorphisms). Recombination events were identified within half-sib families and both the number of recombination events and the recombination rate was calculated within each0.5 Mb window of the genome. The 10% of windows with the highest recombination rate on each chromosome were considered to be recombination hotspots. A BayesB model was used separately for each line to identify genomic regions associated with the genome-wide number of recombination event per meiosis. Regions that explained more than 0.8% of genetic variance of recombination rate were considered to harbor ***: Heritability of recombination rate was estimated at 0.17 in WL and 0.16 in BL. On average, 11.3 and 23.2 recombination events were detected per individual across the genome in 1301 and 9292 meioses in the WL and BL,respectively. The estimated recombination rates differed significantly between the lines, which could be due to differences in inbreeding levels, and haplotype structures. Dams had about 5% to 20% higher recombination rates per meiosis than sires in both lines. Recombination rate per 0.5 Mb window had a strong negative correlation with chromosome size and a strong positive correlation with GC content and with CpG island density across the genome in both lines. Different QTL for recombination rate were identified in the two lines. There were 190 and 199 non-overlapping recombination hotspots detected in WL and BL respectively, 28 of which were common to both ***: Differences in the r

关键词： Layer chicken QTL Recombination SNP

定量MRI和质子MR波谱成像评估上下肢杜氏肌营养不良症的多中心队列研究

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国际医学放射学杂志 2020年第4期 490-491页

作者： S.C.Forbes H.arora R.j.Willcocks W.T.Triplett W.D.Rooney A.M.Barnard 夏志鹏 Department of Physical Therapy University of Florida

在杜氏肌营养不良症(DMD)的临床试验中,上肢MRI和质子MR波谱成像(1H-MRS)被越来越多地作为临床研究的结局指标。目的在纳入卧床或非卧床DMD病人的大

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