The SARS CoV-2 pathogen has already infected more than 120 million people globally and caused over 2.6 million fatalities. It is therefore critical to quickly seek effective drugs to reduce mortality and morbidity. The repositioning of existing drugs could be one of the keys to achieving that.

Considering that the pharmacological profiles, safety, and interactions are already known in registered drugs and that there is a precedent in successfully transferring drugs into new indications, the opportunity is strong.

Via the use of mathematical methods for screening and identifying potential candidates, and by referencing a number of databases containing chemical structures and data on genomic and proteomic sequences, the initial filter for the prioritization of molecules that should be considered for evaluation and subsequent experimental validation by clinical trials can be narrowed down quickly.

The first step involves the selection of an appropriate group of drugs and target protein, followed by 3D structures of target viral proteins being used to calculate the binding energies of those tested molecules.

Until recently, most studies have been conducted with antivirals, but other groups are gradually being added which extends the chance of true success.

As with all theoretical and computer predictions, it’s always necessary to evaluate the results critically and confirm them with clinical trials such as those we offer here at Quinta-Analytica. With extensive experience in generics and with bioanalytical methods available, get in touch to learn more.

Reference: Galindez, G., Matschinske, J., Rose, T.D. et al. Lessons from the COVID-19 pandemic for advancing computational drug repurposing strategies. Nat Comput Sci 1, 33–41 (2021).

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