Pansy Iqbal

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The structure and electronic structure of drugs determine their mechanism of action. Correct structural representation of drugs helps in the proper identification of pharmacophoric features. Biguanide derivatives are a very important class of drugs, but their electronic structure was not clearly understood. Ab initio MO and density functional studies(More)
Glycogen Synthase Kinase-3 (GSK-3) is a serine/threonine kinase with varied number of actions in cellular signalling systems making it an emerging target for diseases such as diabetes mellitus, cancer, chronic inflammation, bipolar affective disorders and Alzheimer's disease. Various efforts have produced many potent small molecule inhibitors of GSK-3,(More)
The chemical modification caused by prolonged exposure to X-rays on a series of para-substituted phenyl moieties (-NO2, -CN, -CHO, -COOH, -CO2Me, and -CO2(1)Bu) at the surface of thiolate-Au self-assembled monolayers (SAMs) has been investigated by X-ray photoelectron spectroscopy (XPS). Furthermore, the influence that the phenyl group has on the chemical(More)
Layered core-shell bimetallic Cr-Pt nanoparticles were prepared by the formation and later reduction of an intermediate Pt-ion-containing supramolecular complex onto preformed Cr nanoparticles. The resultant nanoparticles were characterized by X-ray diffraction analysis, transmission electron microscopy, X-ray photoelectron spectroscopy, and(More)
Ab initio MO and density functional methods have been employed to understand the electronic structure and second-order delocalizations in diaminoguanidine. The potential energy surfaces of the three different positional isomers of diaminoguanidine (DAG1, DAG2, and DAG3) have been studied in detail, which suggest greater stability for DAG1 over the other(More)
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