In silico approach of antiviral compounds potentials for SARS-CoV-2 and SARS-CoV and drug-like property predictions
SUMMARY Introduction: SARS-CoV-2 (Coronavirus 2 of the severe acute respiratory syndrome; previously 2019-nCoV) and SARS-CoV (coronavirus of the severe acute respiratory syndrome) are closely related viruses, which have no treatment so far. Therefore, the search for new molecules is essential. Objectives: The objective of this study is to use in silico approach to propose antiviral compounds potential for SARS-CoV-2 and SARS-CoV and drug-like properties predictions. Materials and methods: Molecular docking were performed using AutoDock Vina with the molecules that had previously demonstrated drug-like properties. Subsequently, amino acids and the type of interaction involved in the protein-ligand complex were identified. Results: It was possible to identify six potential candidates available in the PubChem database capable of interacting with the 6U7 and 2GTB proteases, which bind to the same active site that lopinavir and remdesivir. Conclusion: Small molecules with drug-like properties could be used as antivirals, after experimental evaluations.
| Main Authors: | , , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Departamento de Farmácia, Facultad de Ciencias, Universidade Nacional da Colombia
2020
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| Online Access: | http://www.scielo.org.co/scielo.php?script=sci_arttext&pid=S0034-74182020000300806 |
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