Journal of Molecular Structure: THEOCHEM
Volume 681, Issues 1–3, 26 July 2004, Pages 137-141
Xue Wu Zhang, Yee Leng Yap
Abstract
The spike protein of SARS-associated coronavirus (SARS-CoV) is an important target for anti-SARS drug discovery. Its S1 domain is responsible for receptor binding and SARS-CoV entry into cells. In this study, we constructed a rational 3D model for S1 domain of SARS-CoV spike protein by fold recognition and molecular modeling techniques. We found that there is a structure similarity between S1 protein and influenza virus neuraminidase. Our analyses suggest that the existing anti-influenza virus inhibitors and anti-neuraminidase antibody could be used as a starting point for designing anti-SARS drugs, vaccines and antibodies. Interestingly, our prediction for antibody is consistent with a recently experimental discovery of anti-SARS antibody.
Keywords
SARS-CoV, S1 protein, Structure, Influenza virus, Inhibitor, Antibody