@article{Mollaamin_2022, title={DETERMINATION OF PROTEINS ASSOCIATED WITH COVID-19 BASED LIGAND DESIGNING AND MOLECULAR MODELING}, volume={67}, url={https://www.jcchems.com/index.php/JCCHEMS/article/view/1907}, abstractNote={<p>Towards to recognize a strong inhibitor we accomplished docking studies on the major virus protease with 4 natural product species as anti Covid-19(SARS-CoV-2), namely “Vidarabine”, “Cytarabine”, “Gemcitabine” and “Matrine” from which are extractive from Gillan’s leaves plants. These are known as Chuchaq, Trshvash, Cote-Couto and Khlvash in Iran.&nbsp; Among these four studied compounds, Cytarabine appear as suitable compound with high effectiveness inhibitors to this protease. With docking simulation and NMR investigation we demonstrated, these compounds exhibit a suitable binding energy around 9 Kcal/mol with various ligand proteins modes in the binding to COVID-19 viruses. However, these data need further in both, vivo &amp; vitro evaluation for repurposing these drugs against COVID-19 viruses.</p> <p><img src="/public/site/images/carlos/1907.JPG"></p&gt;}, number={2}, journal={Journal of the Chilean Chemical Society}, author={Mollaamin, Fatemeh}, year={2022}, month={Jun.}, pages={5468-5476} }