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366 results on '"Khare, N."'

20. Magnetic Field resulting from non-linear electrical transport in single crystals of charge-ordered Pr$_{0.63}$ Ca$_{0.37}$ MnO$_{3}$}

Author

Guha, Ayan, Khare, N., Raychaudhuri, A. K., and Rao, C. N. R

Subjects
Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Materials Science
Abstract

In this letter we report that the current induced destabilization of the charge ordered (CO) state in a rare-earth manganite gives rise to regions with ferromagnetic correlation. We did this experiment by measurement of the I-V curves in single crystal of the CO system Pr$_{0.63}$Ca$_{0.37}$MnO$_{3}$ and simultanously measuring the magnetization of the current carrying conductor using a high T$_c$ SQUID working at T = 77K. We have found that the current induced destabilization of the CO state leads to a regime of negative differential resistance which leads to a small enhancement of the magnetization of the sample, indicating ferromagnetically aligned moments., Comment: 4 pages LateX, 4 eps figures

Published
2000
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22. Homology Modelling, Molecular Docking and Molecular Dynamics Simulation Studies of CALMH1 against Secondary Metabolites of Bauhinia variegata to Treat Alzheimer’s Disease

Author

Khare, N, Maheshwari, S, Rizvi, S, Albadrani, H, Alsagaby, S, Alturaiki, W, Iqbal, D, Zia, Q, Villa, C, Jha, S, Jha, N, Jha, A, Khare N., Maheshwari S. K., Rizvi S. M. D., Albadrani H. M., Alsagaby S. A., Alturaiki W., Iqbal D., Zia Q., Villa C., Jha S. K., Jha N. K., Jha A. K., Khare, N, Maheshwari, S, Rizvi, S, Albadrani, H, Alsagaby, S, Alturaiki, W, Iqbal, D, Zia, Q, Villa, C, Jha, S, Jha, N, Jha, A, Khare N., Maheshwari S. K., Rizvi S. M. D., Albadrani H. M., Alsagaby S. A., Alturaiki W., Iqbal D., Zia Q., Villa C., Jha S. K., Jha N. K., and Jha A. K.

Abstract

Calcium homeostasis modulator 1 (CALHM1) is a protein responsible for causing Alzheimer’s disease. In the absence of an experimentally designed protein molecule, homology modelling was performed. Through homology modelling, different CALHM1 models were generated and validated through Rampage. To carry out further in silico studies, through molecular docking and molecular dynamics simulation experiments, various flavonoids and alkaloids from Bauhinia variegata were utilised as inhibitors to target the protein (CALHM1). The sequence of CALHM1 was retrieved from UniProt and the secondary structure prediction of CALHM1 was done through CFSSP, GOR4, and SOPMA methods. The structure was identified through LOMETS, MUSTER, and MODELLER and finally, the structures were validated through Rampage. Bauhinia variegata plant was used to check the interaction of alkaloids and flavonoids against CALHM1. The protein and protein–ligand complex were also validated through molecular dynamics simulations studies. The model generated through MODELLER software with 6VAM A was used because this model predicted the best results in the Ramachandran plot. Further molecular docking was performed, quercetin was found to be the most appropriate candidate for the protein molecule with the minimum binding energy of −12.45 kcal/mol and their ADME properties were analysed through Molsoft and Molinspiration. Molecular dynamics simulations showed that CALHM1 and CALHM1–quercetin complex became stable at 2500 ps. It may be seen through the study that quercetin may act as a good inhibitor for treatment. With the help of an in silico study, it was easier to analyse the 3D structure of the protein, which may be scrutinized for the best-predicted model. Quercetin may work as a good inhibitor for treating Alzheimer’s disease, according to in silico research using molecular docking and molecular dynamics simulations, and future in vitro and in vivo analysis may confirm its effectiveness.

Published
2022

25. Cardiac Glycosides

Author

Deepak, D., Srivastava, S., Khare, N. K., Khare, A., Deepak, D., Grove, J. F., Haslam, E., Khare, A., Khare, N. K., Srivastava, S., Herz, W., editor, Kirby, G. W., editor, Moore, R. E., editor, Steglich, W., editor, and Tamm, Ch., editor

Published
1996
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