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利用[某种药物]作为重新利用的药物开辟新途径,并使用人工智能技术分析其抗病毒作用。 (注:原文中“Using as a Repurposed Drug”部分有缺失信息,这里是按大致结构翻译)

Paving New Roads Using as a Repurposed Drug and Analyzing its Antiviral Action Using Artificial Intelligence Technology.

作者信息

Atoum Manar Fayiz, Padma Kanchi Ravi, Don Kanchi Ravi

机构信息

Faculty of Applied Health Sciences, Hashemite University, Zarqa, Jordan.

Department of Biotechnology, Sri Padmavati Mahila Visvavidyalayam (Women's) University, Tirupati, India.

出版信息

Iran J Pharm Res. 2023 Jan 21;21(1):e131577. doi: 10.5812/ijpr-131577. eCollection 2022 Dec.

DOI:10.5812/ijpr-131577
PMID:36915406
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10007998/
Abstract

CONTEXT

The whole universe is facing a coronavirus catastrophe, and prompt treatment for the health crisis is primarily significant. The primary way to improve health conditions in this battle is to boost our immunity and alter our diet patterns. A common bulb veggie used to flavor cuisine is garlic. Compounds in the plant that are physiologically active are present, contributing to its pharmacological characteristics. Among several food items with nutritional value and immunity improvement, garlic stood predominant and more resourceful natural antibiotic with a broad spectrum of antiviral potency against diverse viruses. However, earlier reports have depicted its efficacy in the treatment of a variety of viral illnesses. Nonetheless, there is no information on its antiviral activities and underlying molecular mechanisms.

OBJECTIVES

The bioactive compounds in garlic include organosulfur (allicin and alliin) and flavonoid (quercetin) compounds. These compounds have shown immunomodulatory effects and inhibited attachment of coronavirus to the angiotensin-converting enzyme 2 (ACE2) receptor and the Mpro of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). Further, we have discussed the contradictory impacts of garlic used as a preventive measure against the novel coronavirus.

METHOD

The GC/MS analysis revealed 18 active chemicals, including 17 organosulfur compounds in garlic. Using the molecular docking technique, we report for the first time the inhibitory effect of the under-consideration compounds on the host receptor ACE2 protein in the human body, providing a crucial foundation for understanding individual compound coronavirus resistance on the main protease protein of SARS-CoV-2. Allyl disulfide and allyl trisulfide, which make up the majority of the compounds in garlic, exhibit the most potent activity.

RESULTS

Conventional medicine has proven its efficiency from ancient times. Currently, our article's prime spotlight was on the activity of on the relegation of viral load and further highlighted artificial intelligence technology to study the attachment of the allicin compound to the SARS-CoV-2 receptor to reveal its efficacy.

CONCLUSIONS

The COVID-19 pandemic has triggered interest among researchers to conduct future research on molecular docking with clinical trials before releasing salutary remedies against the deadly malady.

摘要

背景

整个世界都面临着冠状病毒灾难,迅速治疗这场健康危机至关重要。在这场战斗中改善健康状况的主要方法是增强我们的免疫力并改变我们的饮食模式。一种常用于为菜肴增添风味的鳞茎类蔬菜是大蒜。该植物中存在具有生理活性的化合物,这促成了它的药理特性。在几种具有营养价值和能提高免疫力的食物中,大蒜是占主导地位且更具功效的天然抗生素,对多种病毒具有广泛的抗病毒效力。然而,早期报告描述了它在治疗多种病毒性疾病方面的功效。尽管如此,关于其抗病毒活性和潜在分子机制尚无信息。

目的

大蒜中的生物活性化合物包括有机硫(大蒜素和蒜氨酸)和类黄酮(槲皮素)化合物。这些化合物已显示出免疫调节作用,并抑制冠状病毒与血管紧张素转换酶2(ACE2)受体以及严重急性呼吸综合征冠状病毒2(SARS-CoV-2)的M蛋白酶的结合。此外,我们还讨论了大蒜作为预防新型冠状病毒的措施所产生的矛盾影响。

方法

气相色谱/质谱分析揭示了大蒜中的18种活性化学物质,包括17种有机硫化合物。通过分子对接技术,我们首次报告了所研究的化合物对人体宿主受体ACE2蛋白的抑制作用,为了解个别化合物对SARS-CoV-2主要蛋白酶蛋白的冠状病毒抗性提供了关键基础。构成大蒜中大多数化合物的二烯丙基二硫和二烯丙基三硫表现出最强的活性。

结果

传统医学自古以来就证明了其有效性。目前,我们文章的主要焦点是其对病毒载量降低的活性,并进一步强调了利用人工智能技术研究大蒜素化合物与SARS-CoV-2受体的结合以揭示其功效。

结论

COVID-19大流行引发了研究人员的兴趣,促使他们在发布针对这种致命疾病的有益疗法之前,开展更多关于分子对接与临床试验的未来研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/d6a55fadd4f3/ijpr-21-1-131577-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/ce7398eef116/ijpr-21-1-131577-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/4a1388365a4e/ijpr-21-1-131577-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/f8dd6ba97602/ijpr-21-1-131577-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/d6a55fadd4f3/ijpr-21-1-131577-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/ce7398eef116/ijpr-21-1-131577-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/4a1388365a4e/ijpr-21-1-131577-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/f8dd6ba97602/ijpr-21-1-131577-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/275c/10007998/d6a55fadd4f3/ijpr-21-1-131577-g004.jpg

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