Malwa Institute of Science and Technology

Indore, India

Malwa Institute of Science and Technology

Indore, India
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Suhane S.,Malwa Institute of Science and Technology | Nerkar A.G.,University of Pune | Modi K.,P.A. College | Sawant S.D.,University of Pune
International Journal of Pharmacy and Pharmaceutical Sciences | Year: 2013

A dataset of (S)-3-(2-(naphthalene-2-sulfonamido)-3-oxobutyl)benzimidamide derivatives were tested for their inhibitory activities against the enzyme factor Xa, thereby acting as anticoagulants. Quantitative structure activity relationship (QSAR) analysis was applied to 19 candidates of the (S)-3-(2-(naphthalene-2-sulfonamido)-3-oxobutyl)benzimidamide derivatives using a combination of various physicochemical, steric, electronic, and structural molecular descriptors. The most significant models as a calibration model for inhibitory activity of (S)-3-(2-(naphthalene-2-sulfonamido)-3-oxobutyl)benzimidamide derivatives were reported by using multiple linear regression(MLR). For predicting the inhibitory activity of this class of compound, the stepwise regression method was used. With the leave one out (LOO) technique and statistical parameters, the best QSAR models were cross validated. The results obtained in the validation procedure shows high agreement between experimental and predicted inhibitory values, indicating the good quality of derived QSAR models.

Yadav M.,Bioinformatics Research Laboratory | Nayarisseri A.,Bioinformatics Research Laboratory | Joshi S.,P.A. College | Sharma D.,Bioinformatics Research Laboratory | Suhane S.,Malwa Institute of Science and Technology
Current Bioinformatics | Year: 2013

Chronic hepatitis C virus (HCV) infections are a significant health problem worldwide. The NS5B Polymerase of HCV plays a central role in virus replication and is a prime target for the discovery of new treatment options. The urgent need to develop novel anti-HCV agents has provided an impetus for understanding the structure-activity relationship of novel Hepatitis C virus (HCV) NS5B polymerase inhibitors. Towards this objective, multiple linear regression (MLR) and support vector machine (SVM) were used to develop quantitative structure-activity relationship (QSAR) models for a dataset of 34 Tetrahydrobenzothiophene derivatives. The statistical analysis showed that the models derived from both SVM (R2 = 0.9784, SE=0.2982, R2 cv = 0.92) and MLR (R2=0.9684, SE=0.1171, R2 cv= 0.955) have a good internal predictivity. The models were also validated using external test set validation and Y-scrambling, the results demonstrated that MLR has a significant predictive ability for the external dataset as compared to SVM. Also the model is found to yield reliable clues for further optimization of Tetrahydrobenzothiophene derivatives in the data set. © 2013 Bentham Science Publishers.

Varshney D.,Devi Ahilya University | Choudhary D.,Devi Ahilya University | Choudhary D.,Malwa Institute of Science and Technology | Shaikh M.W.,Devi Ahilya University | Mansuri I.,Devi Ahilya University
AIP Conference Proceedings | Year: 2012

We develop a theoretical model for quantitative analysis of temperature-dependent thermoelectric power (S) of La0.67Ba 0.33MnO3 manganites. In the ferromagnetic regime, we have evaluated the phonon thermoelectric power by incorporating the scattering of phonons with impurities, grain boundaries, charge careers and phonons. In doing so, we use the Mott expression to compute the electron diffusive thermoelectric power (Scdiff) using Fermi energy as electron-free parameter, S c diff shows linear temperature dependence and S ph drag increases exponentially with temperature, which is an artifact of various operating scattering mechanisms. Numerical analysis of thermoelectric power from the present model shows similar results as those revealed from experiments. © 2012 American Institute of Physics.

Panda R.,Acropolis Institute of Technology And Research | Rathore V.,Acropolis Institute of Technology And Research | Rathore M.,MPCST | Shelke V.,Barkatullah University | And 6 more authors.
Applied Surface Science | Year: 2012

Quenching of photocurrent in Cu doped CdS prepared by Spray pyrolysis technique is reported. Anomalous changes in surface morphology are seen at 2% of Cu in CdS. Surface morphology of pure CdS film shows rod like structure. Aspect ratio of such rods has a maximum around 2% Cu substitution. This in turn produces anomalous changes in photoconductivity, which is further supported by marked changes seen in mean crystallite size, strain and grain size, roughness, transmittance, optical band gap, activation energy and finally in the photocurrent. Pronounced effects are seen in transmittance as a broad profile centered on 590 nm. The observed effects are explained in terms of carrier recombination mechanisms. © 2011 Elsevier B.V. All rights reserved.

Molahasani N.,Islamic Azad University at Tehran | Molahasani N.,Malwa Institute of Science and Technology | Farhadyar N.,Islamic Azad University | Farhadyar N.,Malwa Institute of Science and Technology | And 4 more authors.
Research Journal of Biotechnology | Year: 2015

As a new strategy of combined application of ZnO nanorods with anticancer doxorubicin drug (DOX), we synthesized folic acid conjugated ZnO nanorods (NRs) for targeted drug delivery application purpose. ZnO NRs was synthesized by hydrothermal method and coated with silica layer using tetraethoxysilane (TEOS) and aminopropyltrimethoxysilane (APTMS) at room temperature. Such a surface modified and functionalized samples was then leached in folic acid (FA) as a targeting agent to leave a folate targeted nanostructure. Characterization of the samples was carried out using X-ray powder diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR) and UV/Visible technique. Field Emission Scanning Electron Microscopy and Energy Dispersive X-ray (FESEM-EDAX) analysis were used to study morphology, distribution and composition of the prepared samples. The results revealed maintenance and chemical bonding of the residual functional groups of folic acid on the nanocarrier's surface and allowed assembled nanocarrier to be used as a site specific delivery of chemotherapeutic agents.

Panda R.,Acropolis Institute of Technology And Research | Pandya S.,UGC-DAE Consortium for Scientific Research | Rathore V.,Acropolis Institute of Technology And Research | Rathore M.,M. P. Council of Science and Technology | And 6 more authors.
AIP Conference Proceedings | Year: 2011

Structural, morphological, electrical and photoconductive properties of Cu doped CdS thin film are reported here. All the films are formed in hexagonal structure with polycrystalline nature. Cu alters the rods of pure CdS into small grains. Activation energy rises with Cu incorporation in CdS film. Temperature dependent photosensitivity and photocurrent on pure and Cu doped CdS thin are investigated. Cu doped films show quick photo-response characteristic. Photosensitivity rises at lower temperature in Cu doped films. © 2011 American Institute of Physics.

Panda R.,Acropolis Institute of Technology And Research | Rathore V.,Acropolis Institute of Technology And Research | Rathore M.,M. P. Council of Science and Technology | Shelke V.,Barkatullah University | And 4 more authors.
AIP Conference Proceedings | Year: 2012

Cadmium sulfide (CdS) is a potential material whose functional properties can be tuned by introducing nano-structuring. Here we report the results of flow rate variation in spray technique where in Cu (1%) doped thin film was prepared with varying flow rate of deposited precursor solution. CdS thin film sets in many nano features like grains, nano-rods etc. XRD and AFM techniques are used for the analysis of film morphology. There is a systematic change is morphology which can be explained in the light of models pertaining to the Ostwald ripening. © 2012 American Institute of Physics.

Godbole B.,P.A. College | Badera N.,Malwa Institute of Science and Technology | Shrivastava S.B.,Vikram University | Jain D.,ITM University | And 2 more authors.
Physics Procedia | Year: 2013

Mono-dispersed NiFe2O4 nanoparticles have been synthesized using a stable ferric salt of FeCl3 with co-precipitation technique, for study of their structural, morphological and magnetic properties. The XRD pattern conforms the formation of FCC structure with the lattice constant ≈8.31 A°. The crystallite size was found to increase with the bath temperature ranging from 33nm to 55nm. The AFM results revealed that uniform disc shaped particles were obtained. The resistivity measurements show a metal like to semiconductor transition, which depends on the size of the grains. The magnetic study reveals that saturation magnetization increases with the grain thickness. © 2013 The Authors.

Badera N.,Malwa Institute of Science and Technology | Godbole B.,P.A. College | Srivastava S.B.,Vikram University | Vishwakarma P.N.,National Institute of Technology Rourkela | And 3 more authors.
Physics Procedia | Year: 2013

Cobalt doped thin films of CdS [Cd1-xCoxS with x=0, 0.05, 0.1, 0.15, 0.2, 0.25] have been prepared for different doping concentrations using chemical bath deposition technique (CBD). The characterization of the films was done by using XRD, AFM and Photoconductivity analysis. The lattice structure of CdS is found to be fcc which changes to hexagonal phase with the increase in Co concentration. Marked changes are seen in AFM images and shows that the grain size increases with the increases in Co concentration. This in-turn has a pronounced effect in the behaviour of photocurrents. Results will be discussed in the light of existing models of photosensitivity coupled with diluted magnetic semiconductors. © 2013 The Authors.

Singh S.,Bareilly College | Manikpuri A.D.,IPS Academy | Ingle I.,DA University | Saraf S.,Bareilly College | And 2 more authors.
Proceedings of the National Academy of Sciences India Section A - Physical Sciences | Year: 2011

The paper describes the study on cyclopentene dicarboxylic acid amides as DHODH inhibitors using PRECLAV and DRAGON software. The inhibitor activities are favored by the presence of fluorine atom and hydrophobic effect in the structure. Several models are proposed using PRECLAV and DRAGON descriptors as well as their combinations. The results are discussed using the statistical parameters indicating that PRECLAV software is superior to DRAGON softwares.

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