Molecular Docking studies of Apigenin, Kaempferol, and Quercetin as potential target against spike receptor protein of SARS COV

Tuli, Hardeep Singh; Sood, Shivani; Pundir, Abhishek; Choudhary, Deepika; Dhama, Kuldeep; Kaur, Gurpreet; Seth, Prachi; Vashishth, Amit; Kumar, Pawan

doi:10.18006/2022.10(1).144.149

Cited by 9 publications

(4 citation statements)

References 15 publications

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“…Although methods to degrade or block spike protein have been investigated [46,47,51,52,56,57,62,[71][72][73][74][75][76][77][78][79][80], there are currently no widely accepted protocols to do this in human subjects. The McCullough protocol: base spike detoxification is the first protocol established to help remove spike protein derived from SARS-CoV-2 infection and vaccination in humans.…”

Section: Discussionmentioning

confidence: 99%

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Clinical Approach to Post-acute Sequelae After COVID-19 Infection and Vaccination

Hulscher,

Procter,

Wynn

et al. 2023

Cureus

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The spike protein of SARS-CoV-2 has been found to exhibit pathogenic characteristics and be a possible cause of post-acute sequelae after SARS-CoV-2 infection or COVID-19 vaccination. COVID-19 vaccines utilize a modified, stabilized prefusion spike protein that may share similar toxic effects with its viral counterpart. The aim of this study is to investigate possible mechanisms of harm to biological systems from SARS-CoV-2 spike protein and vaccine-encoded spike protein and to propose possible mitigation strategies. We searched PubMed, Google Scholar, and 'grey literature' to find studies that (1) investigated the effects of the spike protein on biological systems, (2) helped differentiate between viral and vaccine-generated spike proteins, and (3) identified possible spike protein detoxification protocols and compounds that had signals of benefit and acceptable safety profiles. We found abundant evidence that SARS-CoV-2 spike protein may cause damage in the cardiovascular, hematological, neurological, respiratory, gastrointestinal, and immunological systems. Viral and vaccine-encoded spike proteins have been shown to play a direct role in cardiovascular and thrombotic injuries from both SARS-CoV-2 and vaccination. Detection of spike protein for at least 6-15 months after vaccination and infection in those with post-acute sequelae indicates spike protein as a possible primary contributing factor to long COVID. We rationalized that these findings give support to the potential benefit of spike protein detoxification protocols in those with long-term postinfection and/or vaccine-induced complications. We propose a base spike detoxification protocol, composed of oral nattokinase, bromelain, and curcumin. This approach holds immense promise as a base of clinical care, upon which additional therapeutic agents are applied with the goal of aiding in the resolution of postacute sequelae after SARS-CoV-2 infection and COVID-19 vaccination. Large-scale, prospective, randomized, double-blind, placebo-controlled trials are warranted in order to determine the relative risks and benefits of the base spike detoxification protocol.

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Section: Discussionmentioning

confidence: 99%

“…The addition of other agents that can further assist in the detoxification of spike protein [62][63][64][65][66][67][68][69][70][71][72][73][74][75][76][77][78][79][80] may be indicated based on clinical outcomes. Most notably, the addition of N-acetylcysteine (NAC) may add an extra mechanism of action against spike protein to the protocol.…”

Section: Discussionmentioning

confidence: 99%

Clinical Approach to Post-acute Sequelae After COVID-19 Infection and Vaccination

Hulscher,

Procter,

Wynn

et al. 2023

Cureus

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“…Recently, an in-silico study revealed that flavonoids such as apigenin, quercetin, and kaempferol bind with the spike receptor protein of SARS-CoV-2; however, quercetin was found to be the most active phytochemical against SARS-CoV-2 and could be a better inhibitor in combating SARS-CoV-2 infections [ 134 ]. In silico and in vitro studies suggested that out of many studied phytochemicals, curcumin, EGCG, theaflavin and resveratrol were found to be effective in impeding the coronavirus [ 135 ].…”

Section: Can Plant Products Overcome the Burden Of Sars-cov-2?mentioning

confidence: 99%

An Attention towards the Prophylactic and Therapeutic Options of Phytochemicals for SARS-CoV-2: A Molecular Insight

et al. 2023

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The novel pathogenic virus was discovered in Wuhan, China (December 2019), and quickly spread throughout the world. Further analysis revealed that the pathogenic strain of virus was corona but it was distinct from other coronavirus strains, and thus it was renamed 2019-nCoV or SARS-CoV-2. This coronavirus shares many characteristics with other coronaviruses, including SARS-CoV and MERS-CoV. The clinical manifestations raised in the form of a cytokine storm trigger a complicated spectrum of pathophysiological changes that include cardiovascular, kidney, and liver problems. The lack of an effective treatment strategy has imposed a health and socio-economic burden. Even though the mortality rate of patients with this disease is lower, since it is judged to be the most contagious, it is considered more lethal. Globally, the researchers are continuously engaged to develop and identify possible preventive and therapeutic regimens for the management of disease. Notably, to combat SARS-CoV-2, various vaccine types have been developed and are currently being tested in clinical trials; these have also been used as a health emergency during a pandemic. Despite this, many old antiviral and other drugs (such as chloroquine/hydroxychloroquine, corticosteroids, and so on) are still used in various countries as emergency medicine. Plant-based products have been reported to be safe as alternative options for several infectious and non-infectious diseases, as many of them showed chemopreventive and chemotherapeutic effects in the case of tuberculosis, cancer, malaria, diabetes, cardiac problems, and others. Therefore, plant-derived products may play crucial roles in improving health for a variety of ailments by providing a variety of effective cures. Due to current therapeutic repurposing efforts against this newly discovered virus, we attempted to outline many plant-based compounds in this review to aid in the fight against SARS-CoV-2.

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“…16,17 Many natural plant-based phytochemicals including alkaloids, flavonoids, and other compounds, have been reported to be active against SARS-CoV-2. 18,19 In vitro and even in vivo studies have revealed that flavonoids have the anti-viral potential as well. 20 Silybin, a component of flavonolignan extract isolated from Silybum marianum, has been shown to have hepato-protective effects.…”

Section: Introductionmentioning

confidence: 99%

Computational Docking Study of the Phytochemical Constituent, Silybin (Silybum marianum) against SARS-CoV-2 Omicron Variant Spike Glycoprotein: An In-silico Approach

Bansal¹,

Sharma²,

Panwar³

et al. 2023

J. Pure Appl. Microbiol.

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SARS-CoV-2 is continually evolving with the emergence of new variants with increased viral pathogenicity. The emergence of heavily mutated Omicron (B.1.1.529) with spike protein mutations are known to mediate its higher transmissibility and immune escape that has brought newer challenges for global public health to contain SARS-CoV-2 infection. One has to come up with a therapeutic strategy against the virus so as to effectively contain the infection and spread. Natural phytochemicals are being considered a significant source of bioactive compounds possessing an antiviral therapeutic potential. Being a promising anticancer and chemo-preventive agent, Silybin holds a significant potential to be used as a therapeutic. In the present study, molecular docking of Silybin with Omicron spike protein (7QNW) was carried out. Molecular docking results showed greater stability of Silybin in the active site of the Omicron spike protein with suitable binding mode of interactions. The study reveals that Silybin has the potential to block the host ACE2 receptor-viral spike protein binding; thereby inhibiting the viral entry to human cells. Therefore, Silybin may be further developed as a medication with the ability to effectively combat SARS-CoV-2 Omicron.

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Molecular Docking studies of Apigenin, Kaempferol, and Quercetin as potential target against spike receptor protein of SARS COV

Cited by 9 publications

References 15 publications

Clinical Approach to Post-acute Sequelae After COVID-19 Infection and Vaccination

Clinical Approach to Post-acute Sequelae After COVID-19 Infection and Vaccination

An Attention towards the Prophylactic and Therapeutic Options of Phytochemicals for SARS-CoV-2: A Molecular Insight

Computational Docking Study of the Phytochemical Constituent, Silybin (Silybum marianum) against SARS-CoV-2 Omicron Variant Spike Glycoprotein: An In-silico Approach

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