Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection
Since the pandemic of severe acute respiratory syndrome coronavirus (SARS-CoV-2) in December 2019, the infection cases have quickly increased by more than 511 million people. The long epidemic outbreak over 28 months has affected health and economies worldwide. An alternative medicine appears to be...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-05-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/15/5/620 |
| _version_ | 1797496861869735936 |
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| author | Jutamas Jiaranaikulwanitch Wipawadee Yooin Nopporn Chutiwitoonchai Worathat Thitikornpong Boonchoo Sritularak Pornchai Rojsitthisak Opa Vajragupta |
| author_facet | Jutamas Jiaranaikulwanitch Wipawadee Yooin Nopporn Chutiwitoonchai Worathat Thitikornpong Boonchoo Sritularak Pornchai Rojsitthisak Opa Vajragupta |
| author_sort | Jutamas Jiaranaikulwanitch |
| collection | DOAJ |
| description | Since the pandemic of severe acute respiratory syndrome coronavirus (SARS-CoV-2) in December 2019, the infection cases have quickly increased by more than 511 million people. The long epidemic outbreak over 28 months has affected health and economies worldwide. An alternative medicine appears to be one choice to alleviate symptoms and reduce mortality during drug shortages. <i>Dendrobium</i> extract is one of the traditional medicines used for COVID-19 infection. Several compounds in <i>Dendrobium</i> sp. had been reported to exert pharmacological activities to treat common COVID-19-related symptoms. Herein, in silico screening of 83 compounds from <i>Dendrobium</i> sp. by using the SARS-CoV-2 spike protein receptor-binding domain (RBD) as a drug target was performed in searching for a new lead compound against SARS-CoV-2 infection. Four hit compounds showing good binding affinity were evaluated for antiviral infection activity. The new lead compound DB36, 5-methoxy-7-hydroxy-9,10-dihydro-1,4-phenanthrenequinone, was identified with the IC<sub>50</sub> value of 6.87 ± 3.07 µM. The binding mode revealed that DB36 bound with the spike protein at the host receptor, angiotensin-converting enzyme 2 (ACE2) binding motif, resulted in antiviral activity. This study substantiated the use of <i>Dendrobium</i> extract for the treatment of SARS-CoV-2 infection and has identified new potential chemical scaffolds for further drug development of SARS-CoV-2 entry inhibitors. |
| first_indexed | 2024-03-10T03:09:33Z |
| format | Article |
| id | doaj.art-7f3235276bf24970a2332b962c2aebc7 |
| institution | Directory Open Access Journal |
| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-03-10T03:09:33Z |
| publishDate | 2022-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj.art-7f3235276bf24970a2332b962c2aebc72023-11-23T12:35:31ZengMDPI AGPharmaceuticals1424-82472022-05-0115562010.3390/ph15050620Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 InfectionJutamas Jiaranaikulwanitch0Wipawadee Yooin1Nopporn Chutiwitoonchai2Worathat Thitikornpong3Boonchoo Sritularak4Pornchai Rojsitthisak5Opa Vajragupta6Center of Excellence for Innovation in Analytical Science and Technology for a Biodiversity-Based Economic and Society (I-ANALY-S-T_B.BES-CMU), Chiang Mai University, Chiang Mai 50200, ThailandCenter of Excellence for Innovation in Analytical Science and Technology for a Biodiversity-Based Economic and Society (I-ANALY-S-T_B.BES-CMU), Chiang Mai University, Chiang Mai 50200, ThailandVeterinary Health Innovation and Management Research Group, National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency (NSTDA), Bangkok 12120, ThailandDepartment of Food and Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, ThailandCenter of Excellence in Ageing and Chronic Diseases, Chulalongkorn University, Bangkok 10330, ThailandDepartment of Food and Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, ThailandCenter of Excellence in Ageing and Chronic Diseases, Chulalongkorn University, Bangkok 10330, ThailandSince the pandemic of severe acute respiratory syndrome coronavirus (SARS-CoV-2) in December 2019, the infection cases have quickly increased by more than 511 million people. The long epidemic outbreak over 28 months has affected health and economies worldwide. An alternative medicine appears to be one choice to alleviate symptoms and reduce mortality during drug shortages. <i>Dendrobium</i> extract is one of the traditional medicines used for COVID-19 infection. Several compounds in <i>Dendrobium</i> sp. had been reported to exert pharmacological activities to treat common COVID-19-related symptoms. Herein, in silico screening of 83 compounds from <i>Dendrobium</i> sp. by using the SARS-CoV-2 spike protein receptor-binding domain (RBD) as a drug target was performed in searching for a new lead compound against SARS-CoV-2 infection. Four hit compounds showing good binding affinity were evaluated for antiviral infection activity. The new lead compound DB36, 5-methoxy-7-hydroxy-9,10-dihydro-1,4-phenanthrenequinone, was identified with the IC<sub>50</sub> value of 6.87 ± 3.07 µM. The binding mode revealed that DB36 bound with the spike protein at the host receptor, angiotensin-converting enzyme 2 (ACE2) binding motif, resulted in antiviral activity. This study substantiated the use of <i>Dendrobium</i> extract for the treatment of SARS-CoV-2 infection and has identified new potential chemical scaffolds for further drug development of SARS-CoV-2 entry inhibitors.https://www.mdpi.com/1424-8247/15/5/620spike inhibitorSARS-CoV-2<i>Dendrobium</i>antiviral infectionin silico screening |
| spellingShingle | Jutamas Jiaranaikulwanitch Wipawadee Yooin Nopporn Chutiwitoonchai Worathat Thitikornpong Boonchoo Sritularak Pornchai Rojsitthisak Opa Vajragupta Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection Pharmaceuticals spike inhibitor SARS-CoV-2 <i>Dendrobium</i> antiviral infection in silico screening |
| title | Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection |
| title_full | Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection |
| title_fullStr | Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection |
| title_full_unstemmed | Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection |
| title_short | Discovery of Natural Lead Compound from <i>Dendrobium</i> sp. against SARS-CoV-2 Infection |
| title_sort | discovery of natural lead compound from i dendrobium i sp against sars cov 2 infection |
| topic | spike inhibitor SARS-CoV-2 <i>Dendrobium</i> antiviral infection in silico screening |
| url | https://www.mdpi.com/1424-8247/15/5/620 |
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