ABSTRACT
The pandemic COVID-19, caused by SARS-COV-2, has been a global concern and burden since April 2020 due to high contagiousness and pathogenesis. A great effort is being devoted to identify and investigate different druggable targets for SARS-COV-2 drug discovery. At least three targets have been identified among them is the spike glycoprotein which facilitates viral entry by binding to angiotensin converting enzyme (ACE-2 receptor) in host cell. In the current study, different computational tools were used to design potential cell entry inhibitors targeting spike glycoprotein. The essential pharmacophoric features were identified by e-pharmacophore mapping and fragments virtual screening was run using three different libraries. Docking scores were used to select the best fragments which were linked to afford novel molecules. The designed molecules were filtered via molecular docking, MM-GBSA free energy calculation, ADMET, drug-like properties and DFT calculations. Moreover, synthetic feasibility of the best ligands was studied. These ligands would be envisioned as potential leads for SARS-COV-2 cell entry inhibition and could be explored further towards COVID-19 drug discovery and development.
ABSTRACT
COVID-19 spread worldwide after its outbreak in December 2019. This review paper aims to educate the readers regarding SARS-CoV-2 diagnostic and detection tools and the issues experienced by researchers. We identify on-the-horizon point-of-care diagnostic tests and inspire scholars to develop their innovations past conception. It will also effectively avoid potential pandemics to establish plug-and-play diagnostic information to handle the SARS infection. The authors agree that arbitrary-access, interconnected systems with flexible functionality accessible at the point-of-care, would enable fast and precise diagnosis and tracking.
ABSTRACT
COVID-19 spread worldwide after its outbreak in December 2019. This review paper aims to educate the readers regarding SARS-CoV-2 diagnostic and detection tools and the issues experienced by researchers. We identify on the-horizon point-of-care diagnostic tests and inspire scholars to develop their innovations past conception. It will also effectively avoid potential pandemics to establish plug-and-play diagnostic information to handle the SARS infection. The authors agree that arbitrary-access, interconnected systems with flexible functionality accessible at the point-of-care, would enable fast and precise diagnosis and tracking.