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Volume 15
Issue 5
10.3390/ph15050620
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Article

Discovery of Natural Lead Compound from Dendrobium sp. against SARS-CoV-2 Infection

by
Jutamas Jiaranaikulwanitch
1,2,
Wipawadee Yooin
1,2,
Nopporn Chutiwitoonchai
3,
Worathat Thitikornpong
4,5,6,
Boonchoo Sritularak
5,7,
Pornchai Rojsitthisak
4,5,6 and
Opa Vajragupta
5,6,*
1
Center 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, Thailand
2
Department of Pharmaceutical Sciences, Faculty of Pharmacy, Chiang Mai University, Chiang Mai 50200, Thailand
3
Veterinary Health Innovation and Management Research Group, National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency (NSTDA), Bangkok 12120, Thailand
4
Department of Food and Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, Thailand
5
Center of Excellence in Ageing and Chronic Diseases, Chulalongkorn University, Bangkok 10330, Thailand
6
Molecular Probes for Imaging Research Network, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, Thailand
7
Department of Pharmacognosy, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, Thailand
*
Author to whom correspondence should be addressed.
Pharmaceuticals 2022, 15(5), 620; https://doi.org/10.3390/ph15050620
Submission received: 16 April 2022 / Revised: 7 May 2022 / Accepted: 10 May 2022 / Published: 18 May 2022
(This article belongs to the Special Issue COVID-19 in Pharmaceuticals)
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Abstract

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. Dendrobium extract is one of the traditional medicines used for COVID-19 infection. Several compounds in Dendrobium sp. had been reported to exert pharmacological activities to treat common COVID-19-related symptoms. Herein, in silico screening of 83 compounds from Dendrobium 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 IC50 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 Dendrobium 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.
Keywords: spike inhibitor; SARS-CoV-2; Dendrobium; antiviral infection; in silico screening spike inhibitor; SARS-CoV-2; Dendrobium; antiviral infection; in silico screening

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MDPI and ACS Style

Jiaranaikulwanitch, J.; Yooin, W.; Chutiwitoonchai, N.; Thitikornpong, W.; Sritularak, B.; Rojsitthisak, P.; Vajragupta, O. Discovery of Natural Lead Compound from Dendrobium sp. against SARS-CoV-2 Infection. Pharmaceuticals 2022, 15, 620. https://doi.org/10.3390/ph15050620

AMA Style

Jiaranaikulwanitch J, Yooin W, Chutiwitoonchai N, Thitikornpong W, Sritularak B, Rojsitthisak P, Vajragupta O. Discovery of Natural Lead Compound from Dendrobium sp. against SARS-CoV-2 Infection. Pharmaceuticals. 2022; 15(5):620. https://doi.org/10.3390/ph15050620

Chicago/Turabian Style

Jiaranaikulwanitch, Jutamas, Wipawadee Yooin, Nopporn Chutiwitoonchai, Worathat Thitikornpong, Boonchoo Sritularak, Pornchai Rojsitthisak, and Opa Vajragupta. 2022. "Discovery of Natural Lead Compound from Dendrobium sp. against SARS-CoV-2 Infection" Pharmaceuticals 15, no. 5: 620. https://doi.org/10.3390/ph15050620

APA Style

Jiaranaikulwanitch, J., Yooin, W., Chutiwitoonchai, N., Thitikornpong, W., Sritularak, B., Rojsitthisak, P., & Vajragupta, O. (2022). Discovery of Natural Lead Compound from Dendrobium sp. against SARS-CoV-2 Infection. Pharmaceuticals, 15(5), 620. https://doi.org/10.3390/ph15050620

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