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It causes by a novel\ncoronavirus, and it is spreading all over the world. To date, there is some approved vaccine\nor therapeutic agent which could be effective against this disease. But their effectiveness\nagainst mutated strains is not studied completely. The spike glycoprotein on the surface of\nthe coronaviruses gives the virus the ability to bind to host cell receptors and enter cells.\nInhibition of attachment of these spikes can lead to virus neutralization by inhibiting viral\nentrance.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Aims:<\/jats:title>\n<jats:p>In this study, we tried to use the virus entrance strategy against itself by utilizing virus\nreceptor (ACE-2) in order to design an engineered protein consisting of a human Fc antibody\nfragment and a part of ACE-2, which reacts with virus RBD, and we also evaluated\nthis interaction by computational methods and in silico methods. Subsequently, we have\ndesigned a new protein structure to bind with this site and inhibit the virus from attaching\nto its cell receptor, mechanically or chemically.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Methods:<\/jats:title>\n<jats:p>Various in silico software, bioinformatics, and patent databases were used to retrieve\nthe requested gene and protein sequences. The physicochemical properties and possibility\nof allergenicity were also examined. Three-dimensional structure prediction and\nmolecular docking were also performed to develop the most suitable therapeutic protein.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Results:<\/jats:title>\n<jats:p>The designed protein consisted of a total of 256 amino acids with a molecular\nweight of 28984.62 and 5.92 as a theoretical isoelectric point. Instability and aliphatic index\nand grand average of hydropathicity are 49.99, 69.57 and -0.594, respectively.<\/jats:p>\n<\/jats:sec>\n<jats:sec>\n<jats:title>Conclusions:<\/jats:title>\n<jats:p>In silico studies can provide a good opportunity to study viral proteins and\nnew drugs or compounds since they do not need direct exposure to infectious agents or\nequipped laboratories. The suggested therapeutic agent should be further characterized in\nvitro and in vivo.<\/jats:p>\n<\/jats:sec>","DOI":"10.2174\/1872208317666230523105759","type":"journal-article","created":{"date-parts":[[2023,5,26]],"date-time":"2023-05-26T06:21:12Z","timestamp":1685082072000},"page":"162-176","update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["In Silico Design and Evaluation of a Novel Therapeutic Agent\nAgainst the Spike Protein as a Novel Treatment Strategy for\nCOVID-19 Treatment"],"prefix":"10.2174","volume":"18","author":[{"given":"Soroush","family":"Sarmadi","sequence":"first","affiliation":[{"name":"Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, P.O. Box 71468-64685,\nShiraz, Iran"},{"name":"Department of Pathobiology, Faculty of Veterinary Medicine, Shiraz University, P.O. Box\n71441-11731, Shiraz, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammad Reza","family":"Rahbar","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, P.O. Box 71468-64685,\nShiraz, Iran"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hamideh","family":"Najafi","sequence":"additional","affiliation":[{"name":"Department of Microbiology and Immunology, Faculty of Veterinary Medicine,\nUniversity of Tehran, P.O. 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