The emergence and rapid worldwide spread of the novel coronavirus disease, COVID-19, has prompted concerted efforts to find successful treatments. The causative virus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) – a strain of severe acute respiratory syndrome-related coronavirus. The discovery of new drugs that could target this complex efficiently would be a very long, multi-step and expensive process as every other drug discovery.<br/>We propose a workflow of combined in silico, cheminformatics methods and Machine learning that will be used to predict and identify novel drug by screening from the available data which are deposit in chemical libraries consisting of FDA approved or test drugs, and as well the nature compound based on essential oils and available information in the literature sources to select compounds interacting with spike protein.

Computer-aided drug designing platform towards the enigma SARS-CoV-2 spike protein of COVID-19

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.