Modified Intelligent Magnetic Nano particles as A Treatment for SARS Corona Virus Type 2 In Silico
| Autor: | Arefeh Khodaee, Nima Shirmohammadi, Reza Aghanouri |
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| Rok vydání: | 2022 |
| DOI: | 10.22541/au.166212370.08093807/v1 |
| Popis: | The pandemic situation of the new corona virus (SARS-COV-2) forces drug designers to formulate a new intelligent drug for this disease effective to treat all mutations of the virus. One way to control all mutations of virus is inhibition of spike protein (binding with Angiotensin converting enzyme 2 (ACE-2)) duo to inhibit the viral entry. Viral entry is the first step for virus to start infection. In this work the interactions of SARS-COV-2 spike protein and ACE-2 are evaluated Insilico by docking process and four different Ligands are estimated to simulate those interactions, so as to avoid bindings with ACE-2 needed for viral entry in reality. All Ligand – receptor interactions are considered. Results approves the suggested Ligands in this work, have definite inhibitory effect on SARS-COV-2 spike protein based on the interactions which they make with receptor binding domain (RBD). Docking process are done repeatedly to assure conclusions. |
| Databáze: | OpenAIRE |
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