Diseases characterized by recurrent seizures are known as epilepsy. One of the most important mechanisms for handling it is GABA1 receptor mediated inhibition. In the same context while studying the treatment of epilepsy we observed significant effects by derivatives of sulfonamides, which prompted us to design novel derivatives by means of in silico resources with antiepileptic effects. Molecular docking approaches are routinely used in modern drug design to help understand drug–receptor interaction. This study has been performed with the help of Chemdraw Ultra 7.0, GUSAR online tool for IC50 and LD50 predictions, AutoDock Vina (Python Prescription 0.8), and PaDEL software. Results revealed that ligand-protein interaction affinity of all 10 designed molecules ranges from -5.7 Kcal/mol to -5.2 Kcal/mol, which is approximately comparable to pre-existing GABA1 inhibitor i.e. phenytoin (CID: 1775, ligand-protein interaction affinity is -6.5 Kcal/mol).
Objective: The purpose of this study was to investigate the diabetic effect of phytocompounds isolated from Cressa cretica Linn. using spectroscopic analysis and molecular docking studies. Methods: Coarse powder of the whole plant of C. cretica was extracted with methanol, extracted part was subjected to silica column isolation, and two compounds: 2-Isopropyl-4-(1-methyl-dodeca-2,4-dienyloxy)-benzene-1,3,5-triol (Compound CN-01) and 11-Methyl-dodeca-2,4,6,8,10-pentenoic acid 2,3-dihydroxy-5-methyl-phenyl ester (Compound CN-02) were isolated in pure form. The three-dimensional structure of target protein was downloaded from PDB (www.rcsb.org) Protein Data Bank, Ligand file CN – 01 and CN – 02 were converted to MDL Molfile (V2000) format using ChemSketch 2017.2.1. These files could not be used directly in AutoDock 4.0 tools; thus, they were first converted to PDB files using an open babel tool. Results: Compounds were revealed through spectroscopic analysis and screened using AutoDock 4.0 tools. Docking study recommended that CN – 01 and CN – 02 an existing phytochemical from the plant of C. cretica had the highest fitness docking score and hence could be a potent antidiabetic drug. Conclusion: In this investigation, we docked the receptor (glycogen phosphorylase protein) holds a promising lead target formation against diabetes based on molecular docking analysis (minimum hydrogen bond length and maximum docked score). Thus, these compounds can be effectively used as drugs for treating diabetes which is predicted on the basis of docking scores.
Introduction:Cinnamon is dietary part of almost every Indian, hence there is no harm to consume it or apply it as antibacterial agent. Herein, we have observed that 0.5, 0.6 and 0.7 % concentrations cinnamon essential oil sufficient to control A. hydrophila within 5hrs of exposure. Cinnamaldehyde of is major component of used essential oil which has targeted the Flgn, Fij and Flja protein of flagella flowed by inhibition of swimming motility. Cinnamaldehyde was associated with damaging of cell membrane and leakage of electrolytes in extracellular environment.Aim of the study:In the current study cinnamon essential oil has been used to control the growth of multiple drug resistant A. hydrophila. A. hydrophila was isolated from well water system, and it was imipenem resistant bacteria as well. Materials and Methods: Cinnamon essential oil was characterized by using HPLC and FTIR. Antibacterial killing mechanism was determined by using electrical conductivity test, cytotoxic test by MTT assay, cell wall integrity test and motility test. Results:Cinnamon essential oil has potential to control the growth of A. hydrophila, and complete inhibition of cells was observed within 5hrs of exposure to 0.7% concentration of essential oil. By motility test and molecular docking it has been confirmed that for killing of bacterial cells, cinnamaldehyde of cinnamon essential oil targeting the cell membrane proteins as well as flagellar proteins Flgn, Fij and Flja.
The sex ratio is an important social indicator of gender equality and status in a society. As such, it also reveals social development of a society. In a society wherein gender discrimination is in practice and devaluation of women is prevalent, sex-selective feticide, female infanticide, death of girl child's due to neglect and discrimination in food as well as in provision of medical help and maternal deaths as result of no provision of timely health care during child birth find expression in the sex ratio of a society which is observed to be highly masculine. Haryana stands out as a prominent case study from the geographical perspective as the state could never reach a sex ratio near about national average since 1901 and even it could never cross the mark of 900. The paper aims to analyze the determinants which have great influence on the sex ratio in Haryana at rural and urban level. The results reveal that F-value of the regression models in both the cease is significant as much as less than 1%. The spatial variability value of the sex ratio in rural Haryana as indicated by R 2 ensures that 58.3% or at minimum 57.4%, as indicated by adjusted R 2. The model for urban sex ratio explains its variance that is highest than that of rural. The R 2 returned by the model indicates that 74.7 or at least, as indicated by adjusted R 2 , 72.2% spatial variation in urban sex ratio.
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