Chodhary Dilip Singh Kanya Mahavidyalya

Bhind, India

Chodhary Dilip Singh Kanya Mahavidyalya

Bhind, India

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Sharma M.C.,Devi Ahilya University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya
International Journal of PharmTech Research | Year: 2011

A novel, safe and sensitive method of spectrophotometric estimation in UV-region has been developed using 5 M urea solution as hydrotropic solubilizing agent for the quantitative determination of DCS and PC (Poorly water soluble drugs in tablet dosage form). DCS have λmax at 261.1 nm and obeys Beer's law in concentration range of 5-35 μg/ml. PC have λ max at 247.8 nm and obeys beer's law in concentration range of 5-35 μg/ml. Urea solution does not shows any absorption above 236 nm and does not show any interference in spectrophotometric estimations. All the results, parameters of the analysis were validated statistically.


Sharma M.C.,Dr Hari Singh Gour University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Kohli D.V.,Dr Hari Singh Gour University
Oxidation Communications | Year: 2012

A set of 14 compounds substituted 2-alkylbenzimidazole derivatives with angiotensin II AT 1 receptor antagonists was subjected to 2-dimensional quantitative structureactivity relationships (2D-QSAR) studies using VLife MDS-3.5 drug designing module with various combinations of thermodynamic, the Baumann alignment independent and spatial descriptors. The statistically significant best 2D-QSAR model was generated by a training set of 10 mol and 4 mol test set with correlation coefficient (r 2) of 0.9690, significant cross-validated correlation coefficient (q 2) of 0.8000, F-test of 31.2506, r 2 for external test set (pred-r 2) 0.9166, coefficient of correlation of predicted data set (pred-r 2) 0.1559 and degree of freedom 4 by multiple linear regression (MLR) method. T-C-O-1, SssCH 3count, XAHydrophobicArea and slogp descriptors were found to be major contributing descriptors governing the activity. QSAR model validation becomes an essential part in the development of a statistically valid and predictive model, because the real utility of a QSAR model was to design and predict accurately the modelled properties of the newly synthesised compounds as antihypertensive molecules.


Sharma M.C.,Dr Hari Singh Gour University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Kohlp D.V.,Dr Hari Singh Gour University
Oxidation Communications | Year: 2012

A quantitative structure activity relationship (QSAR) study on a series of 2,3,6-substituted quinazolinones as angiotensin II receptor antagonists was made using combination of various physicochemical descriptors (thermodynamic, electronic and spatial). Several statistical expressions for 2D QSAR models were developed using stepwise multiple regression analysis. The output of the present research work is interesting; the 2D QSAR studies indicated contribution of different physicochemical descriptors. The statistically significant best 2D-QSAR model having correlation coefficient r 2 = 0.8029 and cross-validated squared correlation coefficient q 2 =0.7214 with external predictive ability of pred-r 2 = 0.8942 was developed MLR with the descriptors like PSA(EX) P&S, slogp, kappa 1 and T-N-C1-5. The study suggested that substitution of group at R 1, R 2 position on quinazolinones ring with hydrophobic nature and low bulkiness are favourable for the antihypertensive activity. The quantitative structure activity relationship study provides important structural insights in designing of potent antihypertensive agents.


Sharma M.C.,Dr Hari Singh Gour University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Kohli D.V.,Dr Hari Singh Gour University
Journal of Saudi Chemical Society | Year: 2012

Two dimensional (2D) and three dimensional (3D) quantitative structure-activity relationship (QSAR) studies were performed for correlating the chemical composition of 5-β-Ketosulfoxide Imidazolyl Biphenyl Sulfonylurea derivatives and their angiotensin II AT 1 antagonists using principle component analysis (PCA) and k nearest neighbor molecular field analysis (kNN-MFA) genetic algorithm variable, respectively. Principle component analysis methodology coupled with feature selection methods, viz. genetic algorithm (GA) was applied to derive QSAR models which were further validated for statistical significance and predictive ability by internal and external validation. The statistically significant best 2D QSAR model having correlation coefficient r 2 = 0.8821 and cross-validated squared correlation coefficient q 2 = 0.6934 with external predictive ability of pred_r 2 = 0.8316, pred_r 2se = 0.9852 was developed by GA-PCA with the descriptors like SaaNE-index, polarizability AHP, polarizability AHC, 2 path cluster count X log P, Sulfur count. Molecular field analysis was used to construct the best 3D-QSAR model using GA-PLS method, showing good correlative and predictive capabilities in terms of q 2 = 0.6765 and pred_r 2 = 0.7299. The molecular field analysis (MFA) contour plots provided further understanding of the relationship between structural features of 5-β-Ketosulfoxide Imidazolyl Biphenyl Sulfonylurea derivatives and their activities which should be applicable to design newer potential antihypertensive agents. © 2012.


Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Sharma M.C.,Devi Ahilya University | Sahu N.K.,Dr Hari Singh Gour University
Arabian Journal of Chemistry | Year: 2012

Simple, precise, and accurate UV-Spectrophotometric and high-performance thin-layer chromatography (HPTLC) methods for the simultaneous determination of Nitazoxanide and Ofloxacin in pharmaceutical preparations have been developed and validated. The method was developed using aluminum plates pre-coated with silica gel 60 F 254 HPTLC plates as a stationary phase with toluene:chloroform:carbon tetra chloride:toluene:glacial acetic acid solutions in the proportion of (10:5:3:0.5 v/v/v/v) as mobile phase. Densitometric quantification was performed at 241 nm. Well-resolved bands were obtained with R F values 0.36, 0.57 and 0.63 for Rosiglitazone maleate, Nitazoxanide, and Ofloxacin, respectively. Rosiglitazone maleate was used as an internal standard. The calibration curves were linear within the concentration range of 5-25 μg/ml for each drug. Two simple spectrophotometric methods have been developed for simultaneous estimation of Nitazoxanide, and Ofloxacin from tablet dosage form. The first method, simultaneous equation method, involves the measurement of absorbances at two wavelengths 221.8 nm (λ max of Nitazoxanide) and 244.3 nm (λ max of Ofloxacin), and the second method is First order derivative spectroscopy, wavelengths selected for quantitation were 263.6 nm for Nitazoxanide and 269.2 nm for Ofloxacin. The proposed method gave good validation results and the statistical analysis performed proved that the method is precise, accurate and reproducible, and hence can be employed for routine analysis of Nitazoxanide and Ofloxacin in bulk and commercial formulations. © 2012.


Sharma M.C.,Devi Ahilya University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya
International Journal of ChemTech Research | Year: 2011

A simple, rapid and accurate and stability indicating RP-HPLC method was developed for the determination of Repaglinide in pure and tablet forms. The drug was found almost stable to neutral and photolytic condition. Resolution of drug and the degradation products formed under different stress conditions were successfully achieved on a Luna C18 (5μm×25cm×4.6mm) column utilizing mixture of Acetonitrile and potassium dihydrogen phosphate buffer (pH 4.5 adjusted with orthophosphoric acid) in the ratio of 60:40 (v/v) as mobile phase at a flow rate of 1.0 ml min-1 and detection was performed at 278 nm. The method was statistically validated for accuracy, precision, linearity, ruggedness, robustness, forced degradation, solution stability and selectivity. Quantitative and recovery studies of the dosage form were also carried out and analyzed; the % RSD from recovery studies was found to be less than 1. Due to simplicity, rapidity and accuracy of the method, we believe that the method will be useful for routine quality control analysis.


Sharma M.C.,Devi Ahilya University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Bhadoriya K.S.,Sri Aurobindo Institute of Pharmacy
Medicinal Chemistry Research | Year: 2015

We report combined study of k-nearest neighbor, pharmacophore and 2D QSAR was performed on a series of 2,4-diaminopyrimidines dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum as antimalarial agents to gain insights into the structural determinants and their structure-activity relationship. The QSAR models for the prediction of activity of antiplasmodial activities against P. falciparum clones with wild-type TM4/8.2 and K1CB1 strains have been developed by the SA-PLS and SW-PLS methods, and the proposed models gain satisfactory results. The statistically significant best 2D QSAR model having correlation coefficient r 2 = 0.8569, 0.7853 and cross-validated squared correlation coefficient q 2 = 0.7104, 0.7216 with external predictive ability of pred-r 2 = 0.7995, 0.7064 was developed by wild-type TM4/8.2 and K1CB1 strains with SA-PLS. 3D QSAR studies using k-nearest neighbor molecular field analysis (kNN-MFA) method, identifies two models obtained by SA-PLS and SW-PLS methods leading to antimalarial activity prediction. The obtained pharmacophore model with lowest RMSD value (0.1548 Å), consisting of one hydrogen donor, two hydrogen acceptors and one aromatic region was developed. These models were found to yield reliable clues for further optimization of 2,4-diaminopyrimidines derivatives in the data set. We hope that these results will give new insights into chemical modifications that can be realized with the aim of designing new inhibitors with improved pharmacological properties. © 2014 Springer Science+Business Media New York.


Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Sharma M.C.,Devi Ahilya University
Arabian Journal of Chemistry | Year: 2012

A rapid and precise method (in accordance with ICH guidelines) is developed for the quantitative simultaneous determination of Drotaverine hydrochloride and Omeprazole in a combined pharmaceutical dosage form. Three methods are described for the simultaneous determination of Drotaverine hydrochloride and Omeprazole in a binary mixture. The first method was based on UV-Spectrophotometric determination of two drugs, using Vierordt !s simultaneous equation method. It involves absorbance measurement at 226.8 nm (λ max of Drotaverine hydrochloride) and 269.4 nm (λ max of Omeprazole) in methanol; linearity was obtained in the range of 5-30 μg ml -1 for both the drugs. The second method was based on HPLC separation of the two drugs using potassium dihydrogen phosphate buffer pH 5.0: Acetonitrile: Triethylamine (60:40:0.5, v/v) as a mobile phase. Areas were recorded at 260 nm for both the drugs and retention time was found to be 2.71 min. and 3.87 min for Drotaverine hydrochloride and Omeprazole, respectively at 1.0 mL/min flow rate. The selected chromatographic conditions were found to determine Drotaverine hydrochloride and Omeprazole quantitatively in a combined dosage form without any physical separation. The method has been validated for linearity, accuracy and precision. Linearity was found over the range of 5-30 μg mL -1 for both drugs. The third method was based on HPTLC method for simultaneous quantification of these compounds in pharmaceutical dosage forms. Precoated silica gel 60 F 254 plate was used as stationary phase. The separation was carried out using Glacial acetic acid:Cyclohexane:Methanol:(80:15:5 v/v/v) as mobile phase. The proposed method was found to be fast, accurate, precise, reproducible and rugged and can be used for a simultaneous analysis of these drugs in combined formulations. © 2012.


Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Sharma M.C.,Devi Ahilya University
Arabian Journal of Chemistry | Year: 2012

The study is focused to develop and validate a UV-Spectrophotometric and Densitometry method for simultaneous estimation of Irinotecan from their dosage form. Based on spectrophotometric characteristic of method are described for the simultaneous determination of Irinotecan HCl, at 247 nm for simple UV spectrum and at 268 nm for derivative spectrum was found adequate for quantification. The method was validated for linearity, accuracy, precision, reproducibility, and specificity as per International Conference on Harmonization guidelines. The linearity signal and concentration of Irinotecan in the range of 2-10 μg/ml in aqueous solution present a correlation coefficient (r 2) of 0.9999 for simple UV and 0.9997 for first order derivative spectrum. Second method is the high performance thin layer chromatographic (HPTLC) separation followed by densitometric measurements on normal phase silica gel 60F 254. The chromatographic separation was carried out on precoated silica gel 60F 254 aluminium plates using a mixture of toluene/ethyl acetate/methanol/carbon tetrachloride, in the volume ratio of 9.2:5:0.9:0.8 (v/v/v/v) respectively as mobile phase. Densitometric analysis was carried out at 317 nm. The linear regression analysis data showed good linear relationship in the concentration range of 200-1200 (ng/band) for Irinotecan. The limits of quantitation for Irinotecan were 34 (ng/band). The limit of detection (LOD) and limit of quantitation (LOQ) were 36 and 57 ng/spot, respectively. The drug was satisfactorily resolved with R f value 0.34 ± 0.08. The accuracy and repeatability of the proposed method were ascertained by evaluating various validation parameters like linearity (200-1200 ng/spot). The method was found to be rapid, specific, precise and accurate and can be successfully applied for the routine analysis of Irinotecan bulk and marketed dosage form. © 2012.


Sharma M.C.,Devi Ahilya University | Sharma S.,Chodhary Dilip Singh Kanya Mahavidyalya | Sharma P.,Devi Ahilya University | Kumar A.,Devi Ahilya University
Medicinal Chemistry Research | Year: 2013

Molecular modeling and pharmacophore study has been performed on a series of 2-Substituted-1-naphthols derivatives with potent 5-lipoxygenase inhibitory activity. Structural features responsible for the activity of the compounds were characterized by using physicochemical, topological, and electrotopological descriptors, calculated from the Molecular Design Suite Software (V-life MDS™ 3.5). The relationship developed between biological activity and electrostatic, steric, hydrophobicity parameters was explored to generate combinatorial library with various substitution. This library can be explored for the synthesis and study of future potential anti-inflammatory agent. The requirements for the 5-lipoxygenase inhibitory activity are explored with 2D-QSAR, group based QSAR (G-QSAR), and k-nearest neighbour studies. The statistically significant 2D-QSAR model having r 2 = 0.8502 and q 2 = 0.8144 with pred-r 2 = 0.8072 and the best group based QSAR (G-QSAR) model having r 2 = 0.9137 and q 2 = 0.7808 with pred-r 2 = 0.8490 was developed by simulated annealing based partial least squares method. Further analysis using k-nearest neighbour 3D-QSAR technique identifies two models obtained by simulated annealing (SA) and genetic algorithm (GA)-based partial least squares methods leading to 5-lipoxygenase activity prediction. The best simulated annealing QSAR model showed q 2 = 0.8547, r 2 = 0.8963, and standard error = 0.3677. It was observed that steric properties predicted by k-nearest neighbour MFA contours can be related to 5-lipoxygenase activity. The predictive ability of the resultant model was evaluated using a test set molecules and the predicted r 2 = 0.8162. The best pharmacophore model with hydrophobic, hydrogen bond donor (HBD), and aromatic features has root mean square deviation (RMSD) of 0.5746. The QSAR model suggests that electron-withdrawing character is favorable for the 5-lipoxygenase inhibitory activity. This suggests that electron-withdrawing groups like a chlorine or fluorine atoms at naphthol moiety are good for anti-inflammatory activity. In addition to the electron-withdrawing character, electron-donating groups, hydrophobic and hydrogen bond donor groups positively contribute to the 5-lipoxygenase inhibition. The results of 2D-QSAR, Group based QSAR, and k-nearest neighbour 3D-QSAR studies give detailed structural insights as well as highlights important binding features of these 2-Substituted-1-naphthols derivatives as anti-inflammatory agents which can provide guidance for the rational design of novel potent 5-lipoxygenase inhibitors. © 2013 Springer Science+Business Media New York.

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