Meganathan Chandrasekaran

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Sirtuin is a member of NAD(+)-dependent deacetylase family. The structural details of Sirtuin 2 (SIRT2) complex will be very useful to discover the drug which might have beneficial effects on various diseases like cancer, diabetes, etc. Unfortunately, SIRT2 complex structure is not available yet, hence molecular docking was carried out to dock the substrate(More)
Phosphodiesterases (PDE) control cellular concentrations of intracellular second messengers cyclic adenosine monophosphate (cAMP) and cyclic guanidine monophosphate (cGMP), both of which are produced through the stereo-specific hydrolysis of the P-O3 0 bond in order to inactive metabolite 5 0 GMP and 5 0 AMP, (Alan Salter et al., 2007) respectively. The(More)
A three dimensional pharmacophore model was generated for the molecules which are responsible for anti-inflamma-tory activities targeting Interleukin-2 inducible tyrosine kinase (Itk). 16 structurally diverse molecules were selected as training set to generate the hypotheses using Discovery Studio v2.1. The best hypothesis, Hypo1, comprises two hydrogen(More)
In our study, we have described chemical feature-based 3D QSAR pharmacophore models with help of known inhibitors of Factor Xa (FXa). The best model, Hypo1, has validated by various techniques to prove its robustness and statistical significance. The well validated Hypo1 was used as 3D query in the virtual screening to retrieve potential leads for FXa(More)
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