Seniya C.,Madhav Institute of Technology and Science |
Khan G.J.,Ln Mithila University |
Misra R.,Madhav Institute of Technology and Science |
Vyas V.,Madhav Institute of Technology and Science |
Kaushik S.,Madhav Institute of Technology and Science
Asian Pacific Journal of Tropical Disease | Year: 2014
Objective: To find the neuraminidase H1N1 inhibition potential of 4-hydroxypanduratin A and its derivatives along with associated binding mechanism through virtual screening and molecular docking. Methods: Initially, the structural templates for neuraminidase proteins were identified from structural database using homology search and performed homology and ab initio modeling to predict native 3D structure using Modeller 9.10 and I-TASSER server, respectively. The reliability of the three-dimensional models was validated using Ramachandran plot. The molecular docking was performed using Autodcok 4.2 and molecular interactions were analyzed through PyMol, Chimera and LigPlot. Results: The neuraminidase protein sequences of ADH29478, ADD85918, AEM62864 (2009) and AFO38701 (2011) from India were modeled and validated. 4-hydroxypanduratin A and its 88 derivatives were docked in to active binding pockets of neuraminidase. The guanidine group of residues Arg152 and Trp179 of ADH29478 (Chennai) and AFO38701 (Gwalior) neuraminidase models present in the hydrophilic domain (-OH and =O groups) was found to have molecular interactions with high binding affinities of -7.40 kcal/mol and -8.66 kcal/mol, respectively to 1-(2,4-dihydroxyphenyl)-3,3-diphenylpropan-1-one (CID: 19875815) than other FDA approved drugs such as oseltamivir, zana-mivir, and peramivir. Conclusions: 1-(2,4-dihydroxyphenyl)-3,3-diphenylpropan-1-one will be a breakthrough for further drug development against swine flu. © 2014 Asian Pacific Tropical Medicine Press.
Chandramani Singh K.,University of Delhi |
Yadav R.,Ln Mithila University
Molecular Crystals and Liquid Crystals | Year: 2014
Reverse micellar (L2) phase in (TTAB+pentanol)/water/n-octane, mapped by using optical method, was investigated by preparing mixtures of 30%, 40%, 50%, 60% and 70% by weight of (TTAB+pentanol)(1:1) in n-octane. Positron annihilation studies were performed in these mixtures as a function of water concentration. Around water concentrations of 13.8%, 11.1%, 8.4%, 7.9% and 9.1% respectively, ortho-positronium pick-off lifetime τ3 shows oscillatory behaviour whereas positronium formation I3 exhibits abrupt change. These changes have been attributed to the setting in of bicontinuous phase. Electrical conductivity measurements support these results. Positron annihilation technique can thus distinguish between droplet-like and bicontinuous structures in L2 phase. © 2014 Taylor & Francis Group, LLC.
Yadav K.K.,Ln Mithila University
Ecology, Environment and Conservation | Year: 2010
The paper details with the physico-chemical characteristics of a Lalit Narayan Mithila University Pond of district Darbhanga situated just in front of European Guest house from Feb. 2008 to Jan. 2009. The water was analysed for various physico-chemical parameters Temperature, pH, Turbidity, Electrical conductivity, T.D.S., T. Hardness, T. Alkalinity, D.O., Chloride ;Sulphate, Nitrate etc. Copyright@ EM International.
Ojha P.K.,Ln Mithila University |
Kumari R.,Ln Mithila University |
Chaudhary R.S.,Ln Mithila University |
Chaudhary R.S.,Tilka Manjhi Bhagalpur University
Pestology | Year: 2013
The larval population of H. armigera had two peaks, during 1st week in December with a maximum of 1.73 and 2.13 which reached to 8.93 and 7.93 larvae/meter row during 4th week of February and those sharply declined thereafter with maturity of the crop. Abiotic factors, viz., temperature, wind speed and evaporation had positive relationships with larvae of H. armigera, while relative humidity and rainfall showed negative relationships with them during both the years. Positive role of relative humidity was recorded with larval parasitisation of H. armigera due to C. chlorideae and temperature, wind speed, evaporation and rainfall had negative responses with parasitisation during both the years. During both the years negative relationships were recorded between larval populations and their parasitisation by C. chlorideae.