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Potential of amentoflavone with antiviral properties in COVID-19 treatment


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Figure 1

Molecular docking showing the binding of amentoflavone to the receptor binding domain of spike glycoprotein of SARS-CoV-2 (Research Collaboratory for Structural Bioinformatics Protein (RCSB) Data Base ID 6M17, chain E). Residues of the receptor binding domain interacting with amentoflavone are shown in yellow. Adapted from Miroshnychenko KV, Shestopalova A. Combined use of amentoflavone and ledipasvir could interfere with binding of spike glycoprotein of SARS-CoV-2 to ACE2: the results of molecular docking study. ChemRxiv. Preprint. doi: 10.26434/chemrxiv.12377870.v1, with kind permission of the authors. ACE2, angiotensin-converting enzyme 2; SARS-CoV-2, severe acute respiratory syndrome coronavirus 2.
Molecular docking showing the binding of amentoflavone to the receptor binding domain of spike glycoprotein of SARS-CoV-2 (Research Collaboratory for Structural Bioinformatics Protein (RCSB) Data Base ID 6M17, chain E). Residues of the receptor binding domain interacting with amentoflavone are shown in yellow. Adapted from Miroshnychenko KV, Shestopalova A. Combined use of amentoflavone and ledipasvir could interfere with binding of spike glycoprotein of SARS-CoV-2 to ACE2: the results of molecular docking study. ChemRxiv. Preprint. doi: 10.26434/chemrxiv.12377870.v1, with kind permission of the authors. ACE2, angiotensin-converting enzyme 2; SARS-CoV-2, severe acute respiratory syndrome coronavirus 2.

Figure 2

Interaction of amentoflavone with the inflammatory network and CYPs. Network drawn using STITCH showing chemical–protein interactions based on literature. In the network, nodes are proteins or chemicals and the edges represent the functional associations. The grey edges represent confidence with the line thickness indicating the strength of data support. Adapted from http://stitch.embl.de [25]. Inset shows the binding of amentoflavone to SARS-CoV 3CLpro. Adapted minimally and reprinted from [17] Bioorganic and Medicinal Chemistry, 18, Young Bae Ryu, Hyung Jae Jeong, Jang Hoon Kim, Young Min Kim, Ji-Young Park, Doman Kim, Thi Thanh Hanh Naguyen, Su-Jin Park, Jong Sun Chang, Ki Hun Park, Mun-Chual Rho, Woo Song Lee, Biflavonoids from Torreya nucifera displaying SARS-Co V 3CLpro inhibition, page 7944, Copyright (2010), with permission from Elsevier. The network shows the association of amentoflavone with CYPs and the inflammatory pathway to support the hypothesis for using amentoflavone as an adjunct therapy for COVID-19. 3CLpro, 3-chymotrypsin-like protease; COVID-19, Coronavirus disease-2019; CYP, cytochrome P450; ERBB2, v-erb-b2 erythroblastic leukemia viral oncogene homolog 2; GRB2, growth factor receptor-bound protein 2; HSP90AA1, heat shock protein 90α family class A member 1; IL1B, interleukin 1β; IL6, interleukin 6; IL6R, interleukin 6 receptor; IL6ST, interleukin 6 signal transducer; OPRD1, opioid receptor δ1; OPRM1, opioid receptor μ1; PPARG, peroxisome proliferator-activated receptor γ; SARS-CoV, severe acute respiratory syndrome coronavirus; TNF, tumor necrosis factor α.
Interaction of amentoflavone with the inflammatory network and CYPs. Network drawn using STITCH showing chemical–protein interactions based on literature. In the network, nodes are proteins or chemicals and the edges represent the functional associations. The grey edges represent confidence with the line thickness indicating the strength of data support. Adapted from http://stitch.embl.de [25]. Inset shows the binding of amentoflavone to SARS-CoV 3CLpro. Adapted minimally and reprinted from [17] Bioorganic and Medicinal Chemistry, 18, Young Bae Ryu, Hyung Jae Jeong, Jang Hoon Kim, Young Min Kim, Ji-Young Park, Doman Kim, Thi Thanh Hanh Naguyen, Su-Jin Park, Jong Sun Chang, Ki Hun Park, Mun-Chual Rho, Woo Song Lee, Biflavonoids from Torreya nucifera displaying SARS-Co V 3CLpro inhibition, page 7944, Copyright (2010), with permission from Elsevier. The network shows the association of amentoflavone with CYPs and the inflammatory pathway to support the hypothesis for using amentoflavone as an adjunct therapy for COVID-19. 3CLpro, 3-chymotrypsin-like protease; COVID-19, Coronavirus disease-2019; CYP, cytochrome P450; ERBB2, v-erb-b2 erythroblastic leukemia viral oncogene homolog 2; GRB2, growth factor receptor-bound protein 2; HSP90AA1, heat shock protein 90α family class A member 1; IL1B, interleukin 1β; IL6, interleukin 6; IL6R, interleukin 6 receptor; IL6ST, interleukin 6 signal transducer; OPRD1, opioid receptor δ1; OPRM1, opioid receptor μ1; PPARG, peroxisome proliferator-activated receptor γ; SARS-CoV, severe acute respiratory syndrome coronavirus; TNF, tumor necrosis factor α.
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