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Anti-diabetic activity of quercetin extracted from Phyllanthus emblica ***: In silico and in vivo approaches

Journal of Pharmaceutical Analysis 2018年第2期8卷 109-118页

作者： Prabhu Srinivasan S.Vijayakumar Swaminathan Kothandaraman manogar palani Computational Phytochemistry Lab PG and Research Department of Botany and Microbiology A. V. V. M Sri Pushpam College (Autonomous) Department of Physics RKM Vivekananda College (Autonomous)

In this study, molecular interactions of the ligands, quercetin, gallic acid, and metformin with various diabetes mellitus-related protein targets, such as glycogen phosphorylase and peroxisome proliferatoractivated receptor gamma, were assessed. It was revealed that quercetin possesses good binding affinity to both targets. Quercetin is a major constituent of methanolic extracts of Phyllanthus emblica fruit. The antihyperglycemic effect of quercetin in streptozotocin(STZ)-induced diabetic rats was examined. The isolated quercetin administered at a dose of 75 mg/kg body weight produced a maximum decrease of14.78% in blood glucose levels in the diabetic rats after 7 days of treatment. Furthermore, quercetin doses of 50 and 75 mg/kg were shown to significantly improve the profiles of triglycerides, high-density lipoprotein, very-low-density lipoprotein, low-density lipoprotein, and total cholesterol at the end of the study in STZ-induced diabetic rats. The administration of quercetin(25, 50, and 75 mg/kg body weight)daily for 28 days in STZ-induced diabetic rats resulted in a significant decrease in blood glucose and urine sugar levels, with a considerable rise in plasma insulin and hemoglobin levels. Therefore, quercetin is a potential drug with antidiabetic and antihyperglycemic action mediated by changes in the levels of glucose, cholesterol, and triglycerides as indicated by in silico and in vivo studies.

关键词： Bioactive molecules Glycogen phosphorylase Molecular docking Phyllanthus emblica Quercetin Albino Wister male rats

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Novel ligand-based docking; molecular dynamic simulations;and absorption, distribution, metabolism, and excretion approach to analyzing potential acetylcholinesterase inhibitors for Alzheimer's disease

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Journal of Pharmaceutical Analysis 2018年第6期8卷 413-420页

作者： Subramaniyan Vijayakumar palani manogar Srinivasan Prabhu Ram Avadhar Sanjeevkumar Singh Computational Phytochemistry Laboratory PG and Research Department of Botany and Microbiology AVVM Sri Pushpam College (Autonomous) Poondi Computer Aided Drug Design and Molecular Modeling Laboratory Department of Bioinformatics Alagappa University

Acetylcholinesterase(AChE) plays an important role in Alzheimer's disease(AD). The excessive activity of AChE causes various neuronal problems, particularly dementia and neuronal cell deaths. Generally, antiAChE drugs induce some serious neuronal side effects in humans. Therefore, this study sought to identify alternative drug molecules from natural products with fewer side effects than those of conventional drugs for treating AD. To achieve this, we developed computational methods for predicting drug and target binding affinities using the Schrodinger suite. The target and ligand molecules were retrieved from established databases. The target enzyme has 539 amino acid residues in its sequence alignment. Ligand molecules of 20 bioactive molecules were obtained from different kinds of plants, after which we performed critical analyses such as molecular docking; molecular dynamic(MD) simulations; and absorption, distribution, metabolism, and excretion(ADME) analysis. In the docking studies, the natural compound rutin showed a superior docking score of à 12.335 with a good binding energy value ofà73.313 kcal/mol. Based on these findings, rutin and the target complex was used to perform MD simulations to analyze rutin stability at 30 ns. In conclusion, our study demonstrates that rutin is a superior drug candidate for AD. Therefore, we propose that this molecule is worth further investigation using in vitro studies.

关键词： Alzheimer's disease Acetylcholinesterase Phytocompounds Molecular docking Free energy calculations Molecular dynamic simulations

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In silico prediction of monovalent and chimeric tetravalent vaccines for prevention and treatment of dengue fever

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The Journal of Biomedical Research 2018年第3期32卷 222-236页

作者： Vijayakumar Subramaniyan Ramesh Venkatachalam Prabhu Srinivasan manogar palani Computational Phytochemistry Laboratory P.G. and Research Department of Botany and Microbiology A.V.V.M. Sri Pushpam College (Autonomous)

Reverse vaccinology method was used to predict the monovalent peptide vaccine candidate to produce antibodies for therapeutic purpose and to predict tetravalent vaccine candidate to act as a common vaccine to cover all the dengue virus serotypes. Envelope（E）-proteins of DENV-1-4 serotypes were used for vaccine prediction using NCBI,Uniprot/Swissprot, Swiss-prot viewer, VaxiJen V2.0, TMHMM, BCPREDS, Propred-1, Propred and MHC Pred. Eproteins of DENV-1-4 serotypes were identified as antigen from which T cell epitopes, through B cell epitopes, were predicted to act as peptide vaccine candidates. Each selected T cell epitope of E-protein was confirmed to act as vaccine and to induce complementary antibody against particular serotype of dengue virus. Chimeric tetravalent vaccine was formed by the conjugation of four vaccines, each from four dengue serotypes to act as a common vaccine candidate for all the four dengue serotypes. It can be justifiably concluded that the monovalent 9-mer T cell epitope for each DENV serotype can be used to produce specific antibody against dengue virus and a chimeric common tetravalent vaccine candidate to yield a comparative vaccine to cover any of the four dengue virus serotype. This vaccine is expected to be highly immunogenic against dengue fever.

关键词： dengue serotypes dengue virus vaccine E-proteins MHC Ⅰ and Ⅱ

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Effect of process parameters on springback behaviour during air bending of electrogalvanised steel sheet

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2011年第3期12卷 183-189页

作者： Durairaj VASUDEVAN Rajumani SRINIVASAN palani PADMANABHAN Department of Mechanical Engineering PSNA College of Engineering and Technology Department of Mechanical Engineering RVS College of Engineering and Technology Bharath Niketan Engineering College

This work aims to study the springback behaviour of electrogalvanised (EG) steel sheets during the air bending *** have been conducted to analyse the influence of various parameters such as coating thickness,orientation of the sheet,punch radius,die radius,die opening,punch velocity,and punch travel on springback *** is established that the springback increases with increasing coating thickness,punch radius,punch travel,die radius,die opening,and punch *** 90° orientation exhibits higher springback than 0° orientation.

关键词： Springback Electrogalvanised (EG) steel Air bending

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Readily available alkylbenzenes as precursors for the one-pot preparation of buta-1,3-dienes under DDQ visible-light photocatalysis in benzotrifluoride

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Organic Chemistry Frontiers 2022年第5期9卷 1395-1402页

作者： palani Natarajan Deachen Chuskit Priya Department of Chemistry&Centre for Advanced Studies in Chemistry Panjab UniversityChandigarh-160014India

Easily accessible alkylbenzenes are highly valuable starting materials and solvents in synthetic organic chemistry for the production of pharmaceuticals,plastics,synthetic rubber,dyes,etc.

关键词： alkyl visible rubber

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Effects of magnetohydrodynamic flow past a vertical plate with variable surface temperature

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Applied Mathematics and Mechanics(English Edition) 2010年第3期31卷 329-338页

作者： Ibrahim A.ABBAS G.palani Department of Mathematics Faculty of Sciences and ArtsNajran University Department of Mathematics Faculty of ScienceSohag University Department of Mathematics S.S.Govt.Arts College

An analysis is performed to study the magnetohydrodynamic flow of an electrically conducting, viscous incompressible fluid past a semi-infinite vertical plate with variable surface temperature under the action of transversely applied magnetic field. The heat due to viscous dissipation and the induced magnetic field are assumed to be negligible. The dimensionless governing equations are unsteady, two-dimensional, coupled and non-linear governing equations. It is found that the magnetic field parameter has a retarding effect on the velocities of air and water.

关键词： finite element vertical plate skin friction velocity Nusselt number

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Influence of magnetic field and thermal radiation by natural convection past vertical cone subjected to variable surface heat flux

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Applied Mathematics and Mechanics(English Edition) 2012年第5期33卷 605-620页

作者： G.palani K.Y.KIM Department of Mathematics Dr.Ambedkar Govt.Arts CollegeChennai 600039Tamil NaduIndia Department of Mechanical Engineering Inha UniversityIncheon 402751Republic of Korea

A numerical study is performed to examine the heat transfer characteristics of natural convection past a vertical cone under the combined effects of magnetic field and thermal radiation. The surface of the cone is subjected to a variable surface heat flux. The fluid considered is a gray, absorbing-emitting radiation but a non-scattering medium. With approximate transformations, the boundary layer equations governing the flow are reduced to non-dimensional equations valid in the free convection regime. The dimensionless governing equations are solved by an implicit finite difference method of Crank-Nicolson type which is fast convergent, accurate, and unconditionally stable. Numerical results are obtained and presented for velocity, temperature, local and average wall shear stress, and local and average Nusselt number in air and water. The present results axe compared with the previous published work and are found to be in excellent agreement.

关键词： apex magnetohydrodynamics radiation finite difference skin friction,vertical cone

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Theoretical and Computational Analyses of LNG Evaporator

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Journal of Thermal Science 2017年第2期26卷 132-137页

作者： palani Kumar Chidambaram Yang Myung Jo Heuy Dong Kim FMTRC Daejoo Machinery Co Ltd Department Mechanical Engineering Andong National University

Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes over 80% of natural gas. The analytical calculations are performed using simple mass and energy balance equations. The analytical calculations are made to assess the pressure and temperature variations in the steam tube. Multiphase numerical simulations are performed by solving the governing equations(basic flow equations of continuity, momentum and energy equations) in a portion of the evaporator domain consisting of a single steam pipe. The flow equations are solved along with equations of species transport. Multiphase modeling is incorporated using VOF method. Liquid methane is the primary phase. It vaporizes into the secondary phase gaseous methane. Steam is another secondary phase which flows through the heating coils. Turbulence is modeled by a two equation turbulence model. Both the theoretical and numerical predictions are seen to match well with each other. Further parametric studies are planned based on the current research.

关键词： LNG Evaporator Analytical Calculation Numerical Simulation

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Solar photovoltaic fed dual input LED lighting system with constant illumination control

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Frontiers in Energy 2016年第4期10卷 473-478页

作者： Kinattingal SUNDARESWARAN Kevin Ark KUMAR Payyalore Raman VENKATESWARAN Sankaran palani Department of Electrical and Electronics Engineering National Instituteof Technology Tiruchirappalli 620015 India Bharat Heavy Electricals Limited Tiruchirappalli 620014 India Sudharsan Engineering College Pudukkottai 622501 India

A dual input LED lighting scheme with constant illumination is proposed in this paper. The scheme employs a photovoltaic array as the first input and a battery as the second one. A microcontroller is programmed to operate a changeover switch as well as a DC-DC converter for uninterrupted and constant illumina- tion in work place. The scheme is suitable for conference halls, laboratories, clean rooms, marriage halls, theaters, etc. The complete modeling, design and experimentation of the proposed scheme are explained and the economic viability of the scheme is justified.

关键词： photovoltaic LED light dual input P&O algorithm

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Mercury removal from aqueous solution using petal-like MoS_(2) nanosheets

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Frontiers of Environmental Science & Engineering 2021年第1期15卷 213-222页

作者： Ragini Pirarath palani Shivashanmugam Asad Syed Abdallah MElgorban Sambandam Anandan Muthupandian Ashokkumar Department of Chemistry National Institute of TechnologyTiruchirappalli-620015India Department of Chemical Engineering National Institute of TechnologyTiruchirappalli-620015India Department of Botany and Microbiology College of ScienceKing Saud UniversityRiyadh 11451Saudi Arabia School of Chemistry University of MelbourneMelbourneVic-3010Australia

Recently,different nanomaterial-based adsorbents have received greater attention for the removal of environmental pollutants,specifically heavy metals from aqueous *** this work,we synthesized few-layered MoS2 nanosheets via a surfactant-assisted hydrothermal method and utilized them as an efficient adsorbent for the removal of mercury from aqueous *** synthesized MoS2 nanosheets showed petal-like morphology as confirmed by scanning electron microscope and high-resolution transmission electron microscopic *** average thickness of the nanosheets is found to be about 57 *** high stability and negative zeta potential makes this material suitable for efficient adsorption of mercury from aqueous *** adsorption efficiency of the adsorbent was investigated as a function of pH,contact time and adsorbent *** kinetics of adsorption and reusability potential of the adsorbent were also performed.A pseudo-second-order kinetics for mercury adsorption was *** prepared MoS_(2) nanosheets showed 93%mercury removal efficiency,whereas regenerated adsorbent showed 91%and 79%removal efficiency in the respective 2^(nd) and 3^(rd) *** adsorption capacity of the adsorbent was found to be 289 mg/g at room temperature.

关键词： Anionic surfactant 2D material MoS_(2)nanosheets Mercury removal Adsorption capacity

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