Abstract
Inhibition of ADP-ribose-1 monophosphatase enzyme of COVID-19 by a copper complex can inhibit coronavirus infection.
[Display omitted]
•New quinoline based Cu(II)-complexes were designed and synthesized as anti-Covid-19.•In silico screening revealed that complex recognizes the active site of the viral ADP-ribose-1 monophosphatase enzyme.•Complex 2 is a good protein binder than 1 due to more polar with hydrophobic surface.•Complex 2 has potential to acts as an anti-COVID-19 agent.
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 ADP-ribose-1 monophosphatase enzyme over the parent organic molecules.