Abstract
Chitosan is broadly used as a biological material since of its excellent biological activities. This work describes investigations of chitosan interaction with SARS-CoV-2, which is occupied by human respiratory epithelial cells through communication with the human angiotension-converting enzyme II (ACE2). The β-chitosan derivatives are synthesized and characterized by FT-IR, nuclear magnetic resonance (1H and 13C NMR), mass spectrometry, X-ray diffraction, TGA, DSC, and elemental analysis. The β-chitosan derivatives were screened for cytotoxic activity against the HepG2 and MCF-7 (breast) cancer cell lines. Compound 1h (GI50 0.02 µM) is moderately active against the HepG2 cancer cell line, and Compound 1c is highly active (GI50 0.01 µM) against the MCF-7 cancer cell line. In addition, chitosan derivatives (1a–1j) docking against the SARS coronavirus are found by in-silico docking analysis. The findings show that compound 1c exhibits notable inhibition ability compared with other compounds, with a binding energy value of −7.9 kcal/mol. Based on the molecular docking results, the chitosan analog is proposed to be an alternative antiviral agent for SARS-CoV2.
Highlights
The reported Severe Acute Respiratory Syndrome (SARS) that turned into COVID-19 was originally a coronavirus, SARSCoV-2
The vaccine, which is based on two adenovirus vectors, wasdeveloped by the Gamaleya National Center of Epidemiology and Microbiology (Moscow, Russia) [3], even though steroids and ribavirin have been used in hospitals of Hong Kong [4,5] and HIV protease inhibitor nelfinavir can reduce replication of SARS-CoV based on an initialin vitroassessment [6]
The relationships of between the target protein (PDB ID: 6LU7) and the synthesized chitosan derivatives 1a–1j were determined with AutodockVina 1.1 [35]
Summary
The reported SARS that turned into COVID-19 was originally a coronavirus, SARSCoV-2. The first cases of SARS-CoV were reported as occurring in November 2002 in. Severe Acute Respiratory Syndrome (SARS) is a novel viral typical pneumonia This communicable illness was reported on 31 December 2019. The chemical compositions of chitosan components powerfully influence its biological activity. The antiviral activity of chitosan is determined by its structure and, by the polymerization degree of the molecule [16]. The high polymeric preparations of polysaccharides possess antiviral activity. It has been shown that the high polymeric chitosan’s significantly increased its antiviral activity [17,18]. It consists of unbranched chain of β-glucose as repeating units [19]. To the best of our knowledge, no work on a-aminophosphonate and fluoro aniline with β-chitosan has been previously reported in the literature
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