Sport Nutrition against COVID-۱۹: Using Molecular Docking and Molecular Dynamics Simulations
- سال انتشار: 1400
- محل انتشار: سیزدهمین همایش بین المللی علوم ورزشی
- کد COI اختصاصی: SSRC13_568
- زبان مقاله: انگلیسی
- تعداد مشاهده: 111
نویسندگان
چکیده
Use of some sports supplements can inhibit angiotensin-converting enzyme II (ACE۲), a receptor for the severe acute respiratory syndrome coronavirus ۲ (SARS-CoV-۲), as reviewed through molecular docking and sequent molecular dynamics (MD) simulations against this condition. The crystal structures of ACE۲ receptors of SARS-CoV-۲ and SARS-CoV, applied in docking analysis, were taken from the Protein Data Bank (PDB). The receptors were then prepared using the Molecular Operating Environment (MOE), as a drug-discovery software platform for docking. Supplements such as quercetin and beta glucan (β-glucan) were the top docked compounds to ACE۲ receptor though they strongly interacted with CoV target protein. In conclusion, the COVID-۱۹ pandemic and associated restrictions to encourage social distancing have presented significant challenges for athletes. But appropriate nutritional support such as safe sport supplements consuming along with adequate exercise training is important factors to assist athletes in this pandemic. Understanding the exact mechanisms of the immune responses to SARS-CoV-۲ in elite/semi-elite athletes will undoubtedly guide nutrition-based therapeutic and preventive interventions moving forward. As these mechanisms are being understood, the study data show that the immune responses to immunonutrient-based sports compounds (viz. quercetin and β-glucan) in COVID-۱۹ are essential in mounting successful immune responses in athletes. There is a need to lay focus on immunonutrient-based preventative and therapeutic options that can be implemented in a safe and quick manner to bolster immune responses in athletes. Use of quercetin and β-glucan in sports settings might be an efficient, low-cost, and safe way to help support the immune responses; however, clinical research and trials are needed to confirm the safety and efficacy of this immuno-supportive nutrients, and to determine the sources and the specific doses of quercetin and β-glucan, which may be highly effective in this context. Furthermore, the quercetin and β-glucan routes of administration must be correspondingly studied while quercetin and β-glucan would be the safest route of administration with no important side effects. In this regard, research on this topic is of utmost importance and the development of clinical trials to address these questions is necessary in order to evaluate this potentially significant treatment.کلیدواژه ها
Molecular Docking؛ Molecular Dynamics؛ Sports Immunonutrient؛ Covid-۱۹؛ Angiotensin-Converting Enzyme II؛ ACE۲ Inhibitionمقالات مرتبط جدید
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