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2026
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| Online Access: | https://doi.org/10.5281/zenodo.19352382 |
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| _version_ | 1866902238698405888 |
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| author | Glaucio, Ferreira |
| author_facet | Glaucio, Ferreira |
| contents | <p><span lang="EN-US">SARS-CoV-2 (the causative agent of COVID-19) has caused millions of deaths worldwide, in late 2019, It was considered a pandemic emergence disease. Despite the development of drugs against this pathogen, its ability to mutate poses a significant challenge to existing therapies and is a vast literature showing a genotyping change in the isolate virus in around world. The genome of almost 30 kb, SARS-CoV-2 encodes, many proteins, including RdRP and MAC1, which are important in the viral replication, and pathogenicity respectively, that make then as an interesting target for new drug development. The objective of this study is conduct <em>in silico</em> analysis to evaluate the potential of chalcone derivatives <span> </span>(LQPN05, IQ1, IQ2, and IQ3) targeting SARS-CoV-2 MAC1 and RdRP proteins, combining molecular dynamics and ADME predictions.</span><span lang="EN-US"> </span></p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19352382 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Shine on, you crazy proteins: In silico, design and analysis of chalcone derivatives as dual MAC1/RdRP inhibitors against SARS-CoV-2 Glaucio, Ferreira <p><span lang="EN-US">SARS-CoV-2 (the causative agent of COVID-19) has caused millions of deaths worldwide, in late 2019, It was considered a pandemic emergence disease. Despite the development of drugs against this pathogen, its ability to mutate poses a significant challenge to existing therapies and is a vast literature showing a genotyping change in the isolate virus in around world. The genome of almost 30 kb, SARS-CoV-2 encodes, many proteins, including RdRP and MAC1, which are important in the viral replication, and pathogenicity respectively, that make then as an interesting target for new drug development. The objective of this study is conduct <em>in silico</em> analysis to evaluate the potential of chalcone derivatives <span> </span>(LQPN05, IQ1, IQ2, and IQ3) targeting SARS-CoV-2 MAC1 and RdRP proteins, combining molecular dynamics and ADME predictions.</span><span lang="EN-US"> </span></p> |
| title | Shine on, you crazy proteins: In silico, design and analysis of chalcone derivatives as dual MAC1/RdRP inhibitors against SARS-CoV-2 |
| url | https://doi.org/10.5281/zenodo.19352382 |