Comparison of potential compounds Saussureamine D and Saussureamine E from the plant Saussurea costus falc. as a inhibitor of SARS CoV-2 RNA-dependent RNA-polymerase (RDRP) in silico
Infection with the SARS CoV-2 virus has increased again at this time, so efforts need to be made to stop the virus. One of the potential plants is Saussurea costus FALC. There are two potential compounds contained in these plants, namely Saussureamine D and Saussureamine E. In the SARS-CoV-2 virus t...
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| creator | Suryani, Yani Taupiqurrohman, Opik Darniwa, Adisty Virakawugi Hafizhin, Fauzan Ahsan Kusnawan, Aep Sarbini Wasyik, Abdul Purba, Gilang Aditya Wibowo, Budiman Eko |
| description | Infection with the SARS CoV-2 virus has increased again at this time, so efforts need to be made to stop the virus. One of the potential plants is Saussurea costus FALC. There are two potential compounds contained in these plants, namely Saussureamine D and Saussureamine E. In the SARS-CoV-2 virus there is an enzyme that has an important role in replication, namely RNA-Dependent RNA-Polymerase (RdRp). This study aims to examine the potential of Saussureamine D and Saussureamine E as inhibitors of the RdRp of the SARS-CoV-2 virus. The method used is In Silico through a molecular docking approach. A good indicator of inhibitor quality is indicated by a very low binding affinity value. The results showed that the compound Saussureamine D produced a binding affinity value of -6.8 kcal/mol, while Saussureamine E was -6.7 kcal/mol. Based on the value of the binding affinity, the compound Saussureamine d is a compound that has a better potential to be an inhibitor of the RDRP of the SARS-CoV-2 virus. |
| doi_str_mv | 10.1063/5.0113755 |
| format | Conference Proceeding |
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One of the potential plants is Saussurea costus FALC. There are two potential compounds contained in these plants, namely Saussureamine D and Saussureamine E. In the SARS-CoV-2 virus there is an enzyme that has an important role in replication, namely RNA-Dependent RNA-Polymerase (RdRp). This study aims to examine the potential of Saussureamine D and Saussureamine E as inhibitors of the RdRp of the SARS-CoV-2 virus. The method used is In Silico through a molecular docking approach. A good indicator of inhibitor quality is indicated by a very low binding affinity value. The results showed that the compound Saussureamine D produced a binding affinity value of -6.8 kcal/mol, while Saussureamine E was -6.7 kcal/mol. 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One of the potential plants is Saussurea costus FALC. There are two potential compounds contained in these plants, namely Saussureamine D and Saussureamine E. In the SARS-CoV-2 virus there is an enzyme that has an important role in replication, namely RNA-Dependent RNA-Polymerase (RdRp). This study aims to examine the potential of Saussureamine D and Saussureamine E as inhibitors of the RdRp of the SARS-CoV-2 virus. The method used is In Silico through a molecular docking approach. A good indicator of inhibitor quality is indicated by a very low binding affinity value. The results showed that the compound Saussureamine D produced a binding affinity value of -6.8 kcal/mol, while Saussureamine E was -6.7 kcal/mol. 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| subjects | Affinity Binding Inhibitors Molecular docking Severe acute respiratory syndrome coronavirus 2 Viral diseases Viruses |
| title | Comparison of potential compounds Saussureamine D and Saussureamine E from the plant Saussurea costus falc. as a inhibitor of SARS CoV-2 RNA-dependent RNA-polymerase (RDRP) in silico |
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