A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational COVID-19 Drug Discovery

    August 2022 in “ Chemical Biology & Drug Design ”
    Saeid Maghsoudi, Bahareh Taghavi Shahraki, Fatemeh Rameh, Masoomeh Nazarabi, Yousef Fatahi, Omid Akhavan, Mohammad Rabiee, Ebrahim Mostafavi, Éder C. Lima, Mohammad Reza Saeb, Navid Rabiee
    TLDR Computer-aided methods can speed up COVID-19 drug discovery and help find new uses for existing drugs.
    This review discussed the role of computer-aided drug discovery (CADD) in the rapid identification and development of drugs for COVID-19, emphasizing the advantages of computational methods over traditional drug discovery. It highlighted the use of chemogenomics and drug repositioning (DR) as effective strategies for discovering therapeutic targets and predicting drug toxicity. The review provided examples of recent achievements using molecular docking, chemogenomics, and DR, demonstrating their potential in modeling protein networks against compound libraries. The findings aimed to aid in the development of materials and systems for detecting future coronavirus variants.
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