Research Interests

 

• Part of my research is focusing on understanding the molecular basis of the structure of nucleosides and nucleotides which is prerequisite in understanding the biological and medicinal functions of DNA. Nucleic bases can be altered by chemical means, like spontaneous mutations. Deamination reactions are one of the spontaneous mutations in which Cytosine is converted to Uracil, Adenine to Xanthine, and Guanine to Hypoxanthine. I use high level of theory, such as: ab initio calculations, density functional theory (DFT) and Gaussian-n-theories using Gaussian Quantum Chemistry Package. I am interested in the properties of damaged DNA moieties and the mechanism of action of DNA repair enzymes as well. I study the properties of damaged DNA in order to better understand their mechanism of formation and reaction pathways. The main goal is to identify ways to prevent the initial damage or further chemical reactions. This proposed research would be a long-term project dedicated to understanding DNA repair and damage. • From my previous work as a postdoctoral fellow, I developed expertise working in the application of MD simulations to protein folding and the interactions of HLA-Cw3, β2-microglobulin (β2m), and KIR2DL2 complex. I study the interaction sites of two immune proteins that most likely cause psoriasis. Numerous studies have reported that Cw6, B13, B17, and DR7 antigens are positively associated with psoriasis. Cw6 is the most significant marker for the risk prediction of the disease. The significant genetic component of psoriasis was supported by the association of the disease with HLA (Human Leukocyte Antigen), encoded by genes located within the MHC (Major Histocompatibility Complex) on the short arm of chromosome 6. This is a long-term project and may ultimately involve collaboration with the experimentalists. Homology modeling has shown that the interface between HLA-Cw6 and KIR2DS1 looks similar to the HLA-Cw3-β2m-KIR2DL2 and HLA-Cw4-β2m-KIR2DL1. I will be investigating and studying the structure, dynamics and thermodynamics of the interactions of these biological molecules and their complexes.