article · Advances and Applications in Bioinformatics and Chemistry

In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies

Aristote Matondo
Hilaire VS Mambo
Mayaliwa Muzomwe
Koto-te-Nyiwa Ngbolua
Bienfait Kabuyaya Isamura
Washington Dendera
Virima Mudogo

202225 citationsOpen accessUniversité de Kinshasa (UNIKIN)

Abstract

In line with the findings reported herein, we recommend that further in-vitro and in-vivo investigations are carried out to shed light on the possible mechanism of pharmacological action of the proposed ligands.

Research topics

Computational Drug Discovery Methods
Synthesis and biological activity
thermodynamics and calorimetric analyses

Sustainable Development Goals

3Good Health and Well-being

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DOI: 10.2147/aabc.s366111

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