Homology Modeling of DNA polymerases of Herpesviridae family and structure-based virtual screening for inhibitor identification.

Human herpes viruses are responsible for the several transmitted infections in human. It is known that the DNA polymerase enzyme is one of the putative targets for herpes. Therefore, it is of interest to model all known DNA polymerases of Herpesviridae family. Here, all the DNA polymerases of Herpesviridae without any crystal structure were modeled using HHV-1 DNA polymerase as a template. Modeled structures were screened by ramachandran plot and Descrete Optimization of Protein Energy (DOPE) score. To find out multi-target inhibitor for Herpesviridae, 21 natural antiviral compounds were selected from literature and screened using Lipinski’s rule of five. Binding pose of acyclovir with HHV-1 DNA polymerase was taken for the comparative docking study. Comparative binding analysis was done after settling of 120 and eight partial mono flexible protein-ligand docking sets for natural compounds and acyclovir, respectively. From the study it is found that alliin and gallic acid exhibit good binding affinity than acyclovir and other natural compounds. So, here we purpose that these two compounds can be potential candidates to inhibit Herpesviridae family.

Se-acquisition and reactive oxygen species role in growth, photosynthesis, photosynthetic pigments, and biochemical changes in essential oil(s) monoterpene of geranium ( pelargonium graveolens L.HER.’ EX. AIT.).

Se is an essential element required for various metabolic pathways and act as an antioxidant in the various redox-reactions of primary and secondary plant production of – biomolecules. Geranium is an important essential monoterpene oil(s) bearing plant. Culturing the plant at different doses of Se from 0-1.0 mg Se ml-1 revealed that Se plays an important role as an in antioxidant promoter, apart from its micronutrient essentiality. 0.25 mg Se ml-1 is the critical concentrations for maximum content of (0.21%) total essential monoterpene oil(s). At concentration below and above 0.25 mg Se ml-1, the CO2 assimilation rate, photosynthetic pigments content and ultimately the accumulation of essential monoterpene oil(s) are affected. The maximum peroxidase and SOD activities were obtained at 0.25 mg Se ml-1, with the production of biomolecule geraniol. Results revealed an oxidoreducable reaction of Se in the formation of monoterpene essential oil(s) and possibly for the major constituents Geraniol.

Cr-acquisition and reactive oxygen species role in growth, photosynthesis, photosynthetic pigments, and biochemical changes in essential oil(s) monoterpene of geranium (pelargonium graveolens L.HER.’ EX. AIT.)

Cr is an essential element required for various metabolic pathways and act as an antioxidant in the various redox-reactions of primary and secondary plant production of – biomolecules. Geranium is an important essential monoterpene oil(s) bearing plant. Culturing the plant at different doses of Cr from 0-1.0 g Cr ml-1 revealed that Cr plays an important role as an in antioxidant promoter, apart from its micronutrient essentiality. 0.25 m g Cr ml-1 is the critical concentrations for maximum content of (0.21%) total essential monoterpene oil(s). At concentration below and above 0.25 g Cr ml-1, the CO2 assimilation rate, photosynthetic pigments content and ultimately the accumulation of essential monoterpene oil(s) are affected. The maximum peroxidase and SOD activities were obtained at 0.25 g Cr ml-1, with the production of biomolecule geraniol. Results revealed an oxido-reducable reaction of Cr in the formation of monoterpene essential oil(s) and possibly for the major constituents Geraniol.