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Chlorogenic acid may be a potent inhibitor of dimeric SARS-CoV-2 main protease 3CLpro: an in silico study

Traditional Medicine Research 2021年第2期6卷 135-148页

作者： Rajkumar Sanjay patil Nayeem A.Khatib vishal shivalingappa patil Shailendra Sanjay Suryawanshi Department of Pharmacology and Toxicology KLE College of PharmacyBelagaviKLE Academy of Higher Education and ResearchJNMC CampusNehru NagarBelagavi 590010KarnatakaIndia Department of Pharmaceutical Chemistry KLE College of PharmacyBelagaviKLE Academy of Higher Education and ResearchJNMC CampusNehru NagarBelagavi 590010KarnatakaIndia

Background:Since the emergence of coronavirus disease 2019 to date,there is no available approved drug or definitive treatment for coronavirus disease 2019 viral infection,and the identification of novel hits against therapeutic targets has become a global *** purpurea is a traditional herb utilized to treat cough,fever,sore throat,respiratory tract infection,and so on as an immune *** this study,in silico molecular docking approach was used to screen phytocompounds from *** against severe acute respiratory syndrome coronavirus 2 main protease 3C-like protease(3CLpro)and severe acute respiratory syndrome coronavirus main peptidase(96%sequence similarity)to blunt the viral gene expression and viral ***:Initially,we screened phytocompounds for their druggability and ADMET ***,x-ray crystallographic structures of main proteases 3CLpro and main peptidase having Protein Data Bank ID 6LU7 and 2GTB were used as protein targets for the identification of potential drug *** performed docking using AutoDock Vina by PyRx 0.8 *** Discovery Studio Visualizer v2019 was used to analyze ligand-protein *** probable protein targets of the selected compound were predicted by BindingDB(P≥0.7).STRING and Kyoto Encyclopedia of Genes and Genomes pathways are utilized to identify the molecular pathways modulated by the predicted targets(FDR≤0.05),and the network interaction between compounds and protein pathways was constructed by Cytoscape ***:Among all the compounds,chlorogenic acid showed druggable characteristics and scored the lowest binding energy with main protease and main peptidase via interacting with active site 1 domain amino acid ***,chlorogenic acid interacted with Phe140 main protease 3CLpro,which is potentially involved in the *** analysis identified chlorogenic acid to modulate insulin resistance,necroptosis,interleukin-17,tumor nec

关键词： Molecular docking Echinacea purpurea Chlorogenic acid COVID-19 Main protease 3CLpro Network pharmacology

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Dual inhibition of COVID-19 spike glycoprotein and main protease 3CLpro by Withanone from Withania somnifera

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Chinese Herbal Medicines 2021年第3期13卷 359-369页

作者： vishal shivalingappa patil Vrushabh B.Hupparage Ajay P.Malgi Sanjay H.Deshpande Sathgowda A.patil Shamanand P.Mallapur Department of Pharmacology and Toxicology KLE College of PharmacyKLE Academy of Higher Education and Research(KAHER)Belagavi 590010India Regional Centre for Biotechnology NCR-Biotech Science ClusterFaridabad 121001India

Objective:To identify the safe and effective natural inhibitors of spike glycoprotein and main protease 3CLpro using potential natural antiviral compounds which are studied under various animal models and viral cell ***:First,compounds were retrieved from the Pub Chem database and predicted for their druggability using the Mol Soft web server,and compounds having drug-like property were predicted for major adverse drug reactions like cardiotoxicity,hepatotoxicity,arrhythmia,myocardial infarction,and nephrotoxicity using *** of nontoxic antiviral compounds with spike glycoprotein and main protease 3CLpro was performed using Auto Dock vina by PyRx 0.8 *** stability of compoundprotein interactions was checked by molecular dynamic(MD)simulation using Schrodinger Desmond ***:Based on the druggable and nontoxic profile,nine compounds were *** them,Withanone from Withania somnifera showed the highest binding affinity and best fit at active sites 1 of spike glycoprotein(glycosylation site)and main protease 3CLpro via interacting with active site amino acid residues before and after MD simulation at 50 ***,which may reduce the glycosylation of SARS-CoV-2 via interacting with Asn343 and inhibit viral ***:The current study reports Withanone as a non-toxic antiviral against SARS-CoV-2 and serve as a potential lead hit for further experimental validation.

关键词： antiviral COVID-19 docking dynamics main protease 3CLpro SARS-CoV-2 spike glycoprotein Withanone Withania somnifera(Linn.)Dunal

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Pd/Fe_(3)O_(4) supported on bio-waste derived cellulosic-carbon as a nanocatalyst for C-C coupling and electrocatalytic application

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Frontiers of Chemical Science and Engineering 2022年第10期16卷 1514-1525页

作者： vishal Kandathil Akshay Moolakkil Pranav Kulkarni Alaap Kumizhi Veetil Manjunatha Kempasiddaiah Sasidhar Balappa Somappa R.Geetha Balakrishna Siddappa A.patil Centre for Nano and Material Sciences Jain UniversityJain Global CampusBangalore 562112India Organic Chemistry Section Chemical Sciences&Technology DivisionNational Institute for Interdisciplinary Science and Technology(CSIR)Thiruvananthapuram 695019India

The current work describes the synthesis of a new bio-waste derived cellulosic-carbon supportedpalladium nanoparticles enriched magnetic nanocatalyst(Pd/Fe_(3)O_(4)@C)using a simple multi-step process under aerobic *** mild reaction conditions,the Pd/Fe_(3)O_(4)@C magnetic nanocatalyst demonstrated excellent catalytic activity in the Hiyama cross-coupling reaction for a variety of ***,the Pd/Fe_(3)O_(4)@C magnetic nanocatalyst exhibited excellent catalytic activity up to five recycles without significant catalytic activity loss in the Hiyama cross-coupling ***,we explored the use of Pd/Fe_(3)O_(4)@C magnetic nanocatalyst as an electrocatalyst for hydrogen evolution ***,the Pd/Fe_(3)O_(4)@C magnetic nanocatalyst exhibited better electrochemical activity compared to bare carbon and magnetite(Fe_(3)O_(4)nanoparticles)with an overpotential of 293 mV at a current density of 10 mA·cm^(–2).

关键词： bio-waste cellulosic-carbon Pd/Fe_(3)O_(4) Hiyama cross-coupling hydrogen evolution reaction recyclability

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Distribution of phytoplankton in the East China Sea and the southern Yellow Sea in spring in relation to environmental variables and dimethylsulfide compounds

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Acta Oceanologica Sinica 2022年第6期41卷 41-53页

作者： Jiawei Zhang Yanghang Chen Xueyan Ren vishal patil Lin Sun Xuesong Li Junrong Liang Jun Zhang Yahui Gao Changping Chen School of Life Sciences Xiamen UniversityXiamen 361102China Key Laboratory of the Coastal and Wetland Ecosystems of Ministry of Education Xiamen UniversityXiamen 361102China State Key Laboratory of Marine Environmental Science Xiamen UniversityXiamen 361102China Laboratory of Marine Biology and Ecology Third Institute of OceanographyState Oceanic AdministrationXiamen 361005China Eco-Environmental Monitoring and Research Center Pearl River Valley and South China Sea Ecology and Environment AdministrationMinistry of Ecology and EnvironmentGuangzhou 510610China

The coastal ecosystems are highly sensitive to climate change and are usually influenced by variations in phytoplankton communities and water physiochemical *** the present study,the phytoplankton community,chlorophyll a(Chl a)and their relationships with environmental variables and dimethylsulfide(DMS)and dimethylsulfoniopropionate(DMSP)were investigated in spring 2017(March 24 to April 16)in the East China Sea(26.0°-33.0°N,120.0°-128.0°E)and southern Yellow Sea(31.0°-36.0°N,120.0°-125.0°E).The spatial distributions of phytoplankton species composition and cell density were investigated by qualitative and quantitative methods and were compared with historical data to study phytoplankton species succession in the survey *** results showed that there were 275 phytoplankton species belonging to 90 genera and 6 phyla in the survey area,of which 208 species belonged to 62 genera of Bacillariophyta and 56 species belonged to 20 genera of *** dominant phytoplankton species were Skeletonema dohrnii,Chaetoceros vanheurckii and Prorocentrum *** phytoplankton cell densities ranged from 0.06×10^(4)cells/L to 418.73×10^(4)cells/L,with an average value of 21.46×10^(4)cells/*** spring,the average ratio of Bacillariophyta/Pyrrophyta was41.13 for the entire study *** areas with high phytoplankton cell density were mainly distributed in the northern South Yellow Sea and offshore waters of the East China *** to a canonical correspondence analysis among phytoplankton and environmental parameters,the water Chl a concentrations were notably consistent with phytoplankton cell density(P<0.001),and both showed significant negative correlations with salinity and nitrite(P<0.05)and significant positive correlations with dissolved oxygen and pH(P<0.001).There was a significant positive correlation between diatom(both in cell density and in dominant species)and DMS(P<0.05),which indicated that diatoms play a greater role in DMS production in t

关键词： phytoplankton distribution East China Sea southern Yellow Sea dimethylsulfoniopropionate

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Chinia ***.—the second diatom genus simonsenioid raphe from mangroves in Fujian,China

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Journal of Oceanology and Limnology 2022年第3期40卷 1220-1232页

作者： Huina LIN Weiwei WU Lin SUN Andrzej WITKOWSKI Xiaoye LI vishal patil Junrong LIANG Xuesong LI Yahui GAO Changping CHEN School of Life Sciences and Key Laboratory of Ministry of Education for Coastal and Wetland Ecosystems Xiamen UniversityXiamen 361102China State Key Laboratory of Marine Environmental Science Xiamen UniversityXiamen 361102China Institute of Marine and Environmental Sciences University of SzczecinMickiewicza 16aPL-70-383 SzczecinPoland

A new monotypic diatom genus Chinia *** estuarine mangrove habitats in Fujian,China is ***,scanning and transmission electron microscopy observations of its morphology show that this diatom differs from any established raphid diatom *** new genus is distinguished by a strongly undulate valve face,eccentric raphe canal,and perforated *** distinctly elevated and perforated raphe canal,classifi ed as simonsenioid type,is supported by sparse infundibulum-like portulae,and the portulae are separated by large *** valves of Chinia also have hymenate areolar occlusions and the raphe lacks a central ***,unlike most Bacillariaceae with two plastids,including Simonsenia,Chinia has a single plastid similar to those in Entomoneis and *** the similarities to Simonsenia,Chinia features porous raphe canal and loose striation,which is different from those of Simonsenia that has a solid raphe canal and distinct rows of *** distinctive cytological and morphological characters suggest an affinity of the new genus to the Bacillariaceae.

关键词： marine diatoms East China Sea taxonomy Bacillariaceae new genus simonsenioid raphe

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Responses of phytoplankton and its satellite bacteria to exogenous ethanol

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Journal of Oceanology and Limnology 2023年第1期41卷 203-214页

作者： Rediat ABATE Buce Hanoch HETHARUA vishal patil Daner LIN Demeke KIFLE Junrong LIANG Changping CHEN Lin SUN Shuh-Ji KAO Yonghong BI Bangqin HUANG Yahui GAO Key Laboratory of Algal Biology Institute of HydrobiologyChinese Academy of SciencesWuhan 430072China School of Life Sciences Xiamen UniversityXiamen 361102China Key Laboratory of the Ministry of Education for Coastal and Wetland Ecosystem College of Environment&EcologyXiamen UniversityXiamen 361102China State Key Laboratory of Marine Environmental Sciences Xiamen UniversityXiamen 361101China Department of Zoological Sciences Addis Ababa UniversityAddis AbabaPO Box 1176Ethiopia

The response of phytoplankton and its satellite bacteria to various concentrations(0.01%-10%v/v)of ethanol is *** elucidate the effect of ethanol,single-strains of phytoplankton(SSP)culture,pure strains of satellite bacteria isolated from nonaxenic SSP cultures,and Escherichia coli were *** indicate that ethanol could promote the growth and photo synthetic efficiency(F_(v)/F_(m))of S SP at 0.01%and the growth of satellite bacteria at 0.01%-1%.Nevertheless,ethanol inhibited the growth and F_(v)/F_(m)of SSP at 0.1%-1%,and killed bacteria and SSP at 10% *** investigation on a satellite bacterium(Mameliella alba)revealed that ethanol promotes growth by serving as a growth stimulant rather than a metabolic carbon *** 16 S rRNA gene amplicon indicated that all nonaxenic S SP cultures harbor distinct satellite bacteria communities where the SSP culture of Skeletonema costatum,Phaeodactylum tricornutum,and Dunaliella bardawil were dominated by bacteria genera of Marivita(~80%),Dinoroseobacter(~47%),and Halomonas(~87%),respectively,indicating that every SSP cultures have their own distinct satellite bacterial *** bacteria family Rhodobacteraceae was dominant in the two marine diatoms,whereas Halomonadaceae was dominant in the saline green *** to their respective controls,the supply of 0.5% ethanol to SSP cultures promoted the growth of the satellite bacteria but did not cause a significant difference in species composition of satellite ***,a low concentration of ethanol can promote the growth of bacteria in a non-selective *** study enriched our knowledge about the effect of ethanol on aquatic microbes and provided a baseline for basic and applied biotechnological re search in the aquatic environment in the future.

关键词： aquatic microbes bacteria diversity ethanol effect growth inhibition growth stimulation

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Efficient and recyclable palladium enriched magnetic nanocatalyst for reduction of toxic environmental pollutants

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Journal of Environmental Sciences 2021年第3期33卷 189-204页

作者： Manjunatha Kempasiddaiah vishal Kandathil Ramesh B.Dateer Mahiuddin Baidya Shivaputra A.patil Siddappa A.patil Centre for Nano and Material Sciences Jain UniversityJain Global CampusKanakapuraRamanagaramBangalore 562112India Department of Chemistry Indian Institute of Technology MadrasChennai 600036Tamil NaduIndia Pharmaceutical Sciences Department College of PharmacyRosalind Franklin University of Medicine and ScienceNorth ChicagoIL 60064USA

In this paper,highly stable,powerful,and recyclable magnetic nanoparticles tethered Nheterocyclic carbene-palladium(Ⅱ)((CH_(3))_(3)-NHC-Pd@Fe_(3)O_(4))as magnetic nanocatalyst was successfully synthesized from a simplistic multistep synthesis under aerobic conditions through easily available low-cost *** synthesized(CH_(3))_(3)-NHC-Pd@Fe_(3)O_(4) magnetic nanocatalyst was characterized from various analytical tools and catalytic potential of the(CH_(3))_(3)-NHC-Pd@Fe_3 O_4 magnetic nanocatalyst was studied for the catalytic reduction of toxic 4-nitrophenol(4-NP),hexavalent chromium(Cr(Ⅵ)),Methylene Blue(MB)and Methyl Orange(MO)at room temperature in aqueous ***-Visible spectroscopy was employed to monitor the reduction ***(CH_(3))_(3)-NHC-Pd@Fe_(3)O_(4) magnetic nanocatalyst exhibited excellent catalytic activity for the reduction of toxic environmental ***,(CH_(3))_(3)-NHC-Pd@Fe_(3)O_(4) magnetic nanocatalyst could be easily and rapidly separated from the reaction mixture with the help of an external magnet and recycled minimum five times in reduction of 4-NP,MB,MO and four times in Cr(Ⅵ)without significant loss of catalytic potential and remains stable even after reuse.

关键词： Magnetic nanocatalyst Wastewater treatment Chemical kinetics Catalyst recyclability

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An Efficient and Convenient Synthesis of Imidazolines and Benzimidazoles via Oxidation of Carbon-Nitrogen Bond in Water Media

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Chinese Journal of Chemistry 2012年第4期30卷 924-928页

作者： Shaikh,Kabeer A. patil,vishal A. Shaikh,Parveen A. Organic Synthesis Laboratory Department of ChemistrySir Sayyed CollegeAurangabad-431001MaharashtraIndia

The metal coordination complex K4[Fe（CN）6] is an efficient and environmentally benign catalyst for the syn- thesis of imidazolines and benzimidazoles from various aldehydes and 1,2-diamines in aqueous medium at room... 详细信息

关键词： aldehyde 1,2-diamines Ka[Fe(CN)6] imidazolines benzimidazoles water

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Biophysical quantification of biodiversity and ecosystems services of forest ecosystems in the Western Ghats: a case study of Uttara Kannada District, India

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Journal of Forestry Research 2018年第3期29卷 728-741页

作者： Priya P.Joshi Indu K.Murthy Gurunath T.Hegde Vani Sathyanarayan Savithri Bhat vishal patil Tashina Esteves N.H.Ravindranath Centre for Sustainable Technologies Indian Institute of Science Department of Ecology and Environmental Science Pondicherry University

Biodiversity and ecosystem services play key roles in future economic strategies seeking to promote development and prosperity. This study assesses the status of biodiversity and flow of ecosystem services from selected forest types in the Western Ghats. At the sampling sites, the number of tree species ranged from 16 to 79 per hectare depending on the forest type. The estimates for Shannon–Wiener index for trees in the evergreen, moist deciduous and dry deciduous forest plots were 3.02, 2.9 and 1.54, respectively. The total biomass carbon stocks in evergreen, moist deciduous and dry deciduous forests in the study area was 229, 221 and 189 t C/ha, *** of dependency patterns of local communities on forest resources indicated a high dependency on provisional services such as fuelwood, manure and fodder. The study records the highest dependency rates for fuelwood,ranging between 72 and 100% for the three forest types and indicates that forest ecosystems underpin the well-being of the population dependent directly and indirectly on them.

关键词： Biodiversity assessment Ecosystem services Western Ghats

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Test Apparatus for Performance Evaluation of Compressed Air End-Use Applications

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Open Journal of Energy Efficiency 2013年第1期2卷 29-33页

作者： vishal Sardeshpande Vijay patil Cherat Murali A.T.E. Enterprises Private Limited 2 Shreenivas Classic Pune India Birla Accucast Limited MIDC Waluj Industrial Area Aurangabad India

Compressed air is an integral utility part of industrial utility systems. Any improvement in compressed air system will lead to reduction in utility cost. The effectiveness of utilization side of compressed air is usually dependent upon operator’s discretion. There are no performance testing methods available for testing existing end use equipments. A test apparatus for estimation of compressed air flow based on measurement of pressure reduction in a fixed volume cylinder in a given time is developed. The test apparatus is easy to build and simple to operate in an industrial environment. This can be used for measuring performance of any pneumatic end-use equipment and for benchmarking the performance. The test apparatus was used in a foundry for quantifying the performance of the old and new blow guns.

关键词： Compressed Air Utilization Side Test Apparatus Performance Estimation Pneumatic Equipment Pneumatic Blow Gun

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