Journal
BIOORGANIC CHEMISTRY
Volume 110, Issue -, Pages -Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.bioorg.2021.104772
Keywords
COVID-19; Chloroquine; Hydroxychloroquine; Copper complex; ADP-ribose-1 monophosphatase enzyme
Funding
- King Saud University, Riyadh, Saudi Arabia [RSP-2020/288]
- UGC Start-up grant
- TEQIP-III, ZHCET, Aligarh Muslim University
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The COVID-19 pandemic has disrupted various aspects globally, with a lack of effective drugs to combat the virus. Researchers designed two copper complexes which showed better binding capabilities to the viral target protein compared to the original organic molecules.
The pandemic by COVID-19 is hampering everything on the earth including physical and mental health, daily life and global economy. At the moment, there are no defined drugs, while few vaccines are available in the market to combat SARS-CoV-2. Several organic molecules were designed and tested against the virus but they did not show promising activity. In this work we designed two copper complexes from the ligands analogues with chloroquine and hydroxychloroquine. Both the ligands and complexes were well characterized by using various spectroscopic, thermal and X-ray diffraction techniques. Both the complexes as well as ligands were screened through in silico method with the chloroquine and hydroxychloroquine which essentially proved pivotal for successful understanding towards the target protein and their mechanism of action. The results indicated that the balanced hydrophobic and polar groups in the complexes favor their binding in the active site of the viral ADPribose-1 monophosphatase enzyme over the parent organic molecules.
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