In December 2019, an unknown viral infection was originated from a local fish and wild animal market of Wuhan city (China). Since then, the virus has rapidly spread across mainland China followed by the rest of the world. On Feb. 11, 2020, the WHO identified the virus as the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), and in March 2020 declared the coronavirus outbreak a global pandemic. As of April 2021, COVID-19 has affected about 140 million people with 3 million deaths worldwide. Although the world has survived numerous pandemics in the past this one is an unprecedented global health challenge that has greatly impacted our lives and the socioeconomic of the world.<br/>At present therapeutic options for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are very limited. We designed and synthesized a set of small molecules using a quinoline scaffold (hydroxychloroquine and chloroquine) and pyrazine scaffold (favipiravir). A series of quinoline and pyrazine conjugates by incorporating 1,2,3-triazole as well as benzothiazole were synthesized <i>via</i> microwave-assisted click chemistry technique. All the synthesized conjugates were screened against the SAR-CoV-2 virus and also determined their cytotoxicity. Computational studies were carried out to validate the biological data. Among the synthesized conjugates, some compounds show high potency against SARS-CoV-2. The selectivity index (SI) of some compounds also indicates significant efficacy compared to the reference drug. 2D-QSAR modeling studies support the observed biological properties. More details will be discussed at the conference.

Quinoline and pyrazine conjugates: Synthesis, computational studies and antiviral properties against SARS-CoV-2

ACS Fall 2021

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