Advances in respiratory medicine最新文献_第4页

Comment on Patsaki et al. Benefits from Incorporating Virtual Reality in Pulmonary Rehabilitation of COPD Patients: A Systematic Review and Meta-Analysis. Adv. Respir. Med. 2023, 91, 324–336 对 Patsaki 等人 "将虚拟现实技术应用于慢性阻塞性肺病患者的肺康复治疗中的益处 "的评论：系统回顾与元分析》。Adv.Respir。Med.2023, 91, 324-336

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-12-20 DOI: 10.3390/arm92010002

Mostafa Salimi

I am writing this comment regarding the review article by Patsaki et al. titled “Benefits from Incorporating Virtual Reality in Pulmonary Rehabilitation of COPD Patients: A Systematic Review and Meta-Analysis” [...]

我就 Patsaki 等人撰写的题为 "在慢性阻塞性肺疾病患者的肺康复中融入虚拟现实技术的益处 "的评论文章写这篇评论：系统回顾与元分析"[...]

引用次数: 0

Testing Alpha-1 Antitrypsin Deficiency in Black Populations 检测黑人群体中的α-1 抗胰蛋白酶缺乏症

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-12-19 DOI: 10.3390/arm92010001

Pascale Lafortune, K. Zahid, M. Ploszaj, Emilio Awadalla, Tomás P. Carroll, P. Geraghty

Alpha-1 antitrypsin (AAT) deficiency (AATD) is an under-recognized hereditary disorder and a significant cause of chronic obstructive pulmonary disease (COPD), a disease that contributes to global mortality. AAT is encoded by the SERPINA1 gene, and severe mutation variants of this gene increase the risk of developing COPD. AATD is more frequently screened for in non-Hispanic White populations. However, AATD is also observed in other ethnic groups and very few studies have documented the mutation frequency in these other ethnic populations. Here, we review the current literature on AATD and allele frequency primarily in Black populations and discuss the possible clinical outcomes of low screening rates in a population that experiences poor health outcomes and whether the low frequency of AATD is related to a lack of screening in this population or a truly low frequency of mutations causing AATD. This review also outlines the harmful SERPINA1 variants, the current epidemiology knowledge of AATD, health inequity in Black populations, AATD prevalence in Black populations, the clinical implications of low screening of AATD in this population, and the possible dangers of not diagnosing or treating AATD.

α-1抗胰蛋白酶（AAT）缺乏症（AATD）是一种未得到充分认识的遗传性疾病，也是导致慢性阻塞性肺病（COPD）的一个重要原因，而慢性阻塞性肺病是一种导致全球死亡的疾病。AAT 由 SERPINA1 基因编码，该基因的严重突变变体会增加患 COPD 的风险。在非西班牙裔白人中，AATD 的筛查更为频繁。然而，在其他种族群体中也可观察到 AATD，但只有极少数研究记录了这些其他种族群体中的基因突变频率。在此，我们回顾了目前有关 AATD 和等位基因频率（主要在黑人群体中）的文献，并讨论了在健康状况较差的人群中筛查率低可能导致的临床结果，以及 AATD 的低频率是否与该人群中缺乏筛查或导致 AATD 的突变频率确实较低有关。本综述还概述了有害的 SERPINA1 变异、AATD 目前的流行病学知识、黑人群体中的健康不公平现象、AATD 在黑人群体中的患病率、AATD 在该群体中筛查率低的临床影响以及不诊断或治疗 AATD 可能带来的危险。

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引用次数: 0

The Baveno Classification as a Predictor of CPAP Titration Pressure in Obstructive Sleep Apnea Syndrome. 作为阻塞性睡眠呼吸暂停综合症患者 CPAP 调整压力预测指标的 Baveno 分类。

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-12-15 DOI: 10.3390/arm91060042

Ahmed Ehab, Axel T Kempa, Harald Englert, Shaza Almasri Bittar, Aida M Yousef, Heba Wagih Abdelwahab

Introduction: Obstructive sleep apnea syndrome (OSAS) is a clinical condition characterised by repeated periods of partial or full obstruction of airflow throughout sleep, with impairment of the quality of life and increased mortality with socioeconomic impacts. CPAP therapy is a simple and effective treatment option for OSAS patients. To overcome the clinical and prognostic limitations of AHI-as a sole index of OSAS-the Baveno classification was recently set out and introduced into clinical practice. This study aims to analyse the effect of the Baveno classification on the optimum CPAP titration pressure.

Methods: A retrospective analysis of the records of sleep studies in two centres between 2018 and 2021 was carried out. Patients diagnosed with OSAS and recruited for CPAP titration were included. Based on the Baveno classification, the patients were categorised into four groups (A, B, C, and D).

Results: Consequently, 700 patients were analysed and 427 patients were included. A significant positive correlation was detected between the CPAP optimum titration pressure and OSAS severity, neck circumference, the oxygen desaturation index (ODI), mean oxygen saturation, the AHI, the BMI, and cumulative sleep time when the SpO₂ was <90% (T90) on the other side (p: <0.0001). A non-significant correlation was seen between the Epworth Sleepiness Scale (ESS), symptom severity, end organ impact, and Baveno classification of the CPAP optimum titration pressure (p: 0.8, 0.4, 0.5, and 0.7, respectively).

Conclusions: The Baveno classification is not useful in the prediction of CPAP optimum titration pressure. However, the ODI and neck circumference were significant independent predictors of a higher CPAP titration pressure.

简介阻塞性睡眠呼吸暂停综合症（OSAS）是一种临床症状，其特点是在整个睡眠过程中反复出现部分或全部气流阻塞，影响生活质量，并增加死亡率和社会经济影响。CPAP 疗法是治疗 OSAS 患者的一种简单而有效的方法。为了克服 AHI 作为 OSAS 唯一指标在临床和预后方面的局限性，最近制定了 Baveno 分级法，并将其引入临床实践。本研究旨在分析 Baveno 分级对 CPAP 最佳滴定压力的影响：对 2018 年至 2021 年期间两个中心的睡眠研究记录进行了回顾性分析。纳入了被诊断为 OSAS 并被招募进行 CPAP 滴定的患者。根据 Baveno 分类法，将患者分为四组（A、B、C 和 D）：结果：共对 700 名患者进行了分析，427 名患者被纳入其中。在 CPAP 最佳滴定压力与 OSAS 严重程度、颈围、血氧饱和度指数 (ODI)、平均血氧饱和度、AHI、体重指数和累积睡眠时间之间发现了明显的正相关（当 SpO2 为 p 时：p 分别为 0.8、0.4、0.5 和 0.7）：结论：巴韦诺分类法对预测 CPAP 最佳滴定压力没有帮助。然而，ODI 和颈围是较高 CPAP 滴定压力的重要独立预测指标。

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引用次数: 0

Risk Factors Contributing to Reinfection by SARS-CoV-2: A Systematic Review 导致 SARS-CoV-2 再次感染的风险因素：系统综述

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-12-06 DOI: 10.3390/arm91060041

Walter Gómez-Gonzales, Luis A. Chihuantito-Abal, Carlos Gamarra-Bustillos, Julia Morón-Valenzuela, Jenny Zavaleta-Oliver, Maria Gomez-Livias, Lidia Vargas-Pancorbo, María E. Auqui-Canchari, H. Mejía-Zambrano

This article aims to systematize the evidence regarding risk factors associated with COVID-19 reinfection. We conducted a systematic review of all the scientific publications available until August 2022. To ensure the inclusion of the most recent and relevant information, we searched the PubMed and Scopus databases. Thirty studies were reviewed, with a significant proportion being analytical observational case-control and cohort studies. Upon qualitative analysis of the available evidence, it appears that the probability of reinfection is higher for individuals who are not fully immunized when exposed to a new variant, females, those with pre-existing chronic diseases, individuals aged over 60, and those who have previously experienced severe symptoms of the disease or are immunocompromised. In conclusion, further analytical observational case-control studies are necessary to gain a better understanding of the risk factors associated with SARS-CoV-2 (COVID-19) reinfection.

本文旨在整理与COVID-19再感染相关的危险因素的证据。我们对截至2022年8月的所有科学出版物进行了系统审查。为了确保包含最新和相关的信息，我们检索了PubMed和Scopus数据库。我们回顾了30项研究，其中很大一部分是分析性观察性病例对照和队列研究。根据对现有证据的定性分析，在接触新变种时未充分接种疫苗的个人、女性、已有慢性疾病的人、60岁以上的个人、以前经历过严重疾病症状的人或免疫功能低下的人，再感染的可能性似乎更高。总之，为了更好地了解与SARS-CoV-2 (COVID-19)再感染相关的危险因素，有必要进行进一步的分析性观察性病例对照研究。

引用次数: 0

Correlation between Cardiovascular Autonomic and Pulmonary Ventilation Functions in Myasthenia Gravis Patients 肌无力患者心血管自主神经功能与肺通气功能之间的相关性

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-12-01 DOI: 10.3390/arm91060040

M. Zawadka-Kunikowska, Łukasz Rzepiński, M. Cieślicka, Joanna Fanslau, J. Klawe, M. Tafil-Klawe

This study aimed to investigate the relationship between pulmonary function and cardiac autonomic function parameters in clinically stable myasthenia gravis (MG) patients. A total of 22 MG patients and 22 healthy controls (HCs) were evaluated. Pulmonary function test parameters, heart rate variability (HRV), baroreflex sensitivity (BRS), and cardiovascular autonomic function test parameters (the Valsalva ratio, expiration/inspiration (E/I) ratio) were assessed. Compared with the HCs, the patients demonstrated a similar diffusion capacity for carbon monoxide (DLCO); a lower forced vital capacity (FVC%pred); a lower forced expiratory volume in 1 s (FEV1%pred); lower BRS and HRV, including high-frequency and total power spectral density; and a higher percentage of abnormal cardiovagal function test results (p < 0.05). A lower BRS in the patient group was associated with worse clinical disease outcomes and reduced pulmonary function (DLCO%pred, R = 0.59; TLC%pred, R = 0.48). Age, forced vital capacity, and total lung capacity predicted the E/I ratio (R2 values ranging from 0.48 to 0.49). Our study demonstrated a significant relationship between a reduced pulmonary ventilation function and respiratory mechanics with cardiovascular autonomic parameters, including the E/I ratio, BRS, and HRV measures at rest, as shown in the MG group. Future studies should focus on the interplay between respiratory and autonomic function testing, as well as pulmonary rehabilitation, to mitigate cardiovascular risk in these patients.

本研究旨在探讨临床稳定型重症肌无力(MG)患者肺功能与心脏自主神经功能参数的关系。共有22名MG患者和22名健康对照(hc)进行了评估。评估肺功能试验参数、心率变异性(HRV)、气压反射敏感性(BRS)和心血管自主功能试验参数(Valsalva比值、呼气/吸气(E/I)比值)。与hc相比，患者表现出相似的一氧化碳扩散能力(DLCO);较低的强制肺活量(FVC%);1 s内用力呼气量降低(FEV1%pred);较低的BRS和HRV，包括高频和总功率谱密度;心血管功能检查结果异常的比例较高(p < 0.05)。患者组较低的BRS与较差的临床疾病结局和肺功能降低相关(DLCO%pred, R = 0.59;TLC%pred, R = 0.48)。年龄、用力肺活量和总肺活量预测E/I比值(R2值为0.48 ~ 0.49)。我们的研究表明，在MG组中，肺通气功能降低与呼吸力学与心血管自主参数(包括E/I比、BRS和静止时HRV测量)之间存在显著关系。未来的研究应侧重于呼吸和自主功能测试之间的相互作用，以及肺部康复，以降低这些患者的心血管风险。

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引用次数: 0

Investigating Forkhead Box O Transcription Factor 1 Gene's Relation to Immunoglobulin E in House Dust Mite-Allergic Asthma Patients. 室内尘螨变应性哮喘患者叉头盒O转录因子1基因与免疫球蛋白E关系的研究

IF 1.8 Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-11-15 DOI: 10.3390/arm91060039

Rania A Mohamed, Ahmed ElSadek Fakhr, Shereen A Baioumy

House dust mite (HDM)-allergic asthma is an abnormal immune response to extrinsic aeroallergens found in human vicinities. Studying the role of the associated immunity biomarkers and their interplay helps in discovering novel therapeutic strategies that can be used in adjunct with effective long-term immunotherapy. This study investigates the total serum IgE, FoxO1, and Sirtuin 1 (SIRT1) gene expressions in HDM-allergic asthma patients. We enrolled 40 patients for each of the following three groups: an HV group of healthy volunteers and HDM/AA and HDM/SCIT groups of HDM-allergic asthma patients who did not and who did receive immunotherapy before recruitment in this study, respectively. The results elucidated that total IgE was strikingly elevated in the HDM/AA group and showed little decline in the HDM/SCIT group. Both FoxO1 and SIRT1 gene expressions showed the highest levels in the HDM/SCIT group. There was a negative correlation between total IgE and both FoxO1 and SIRT1 in the HDM/AA group while there was a positive correlation with SIRT1 in the HDM/SCIT group. In conclusion, the interplay of the three immunity biomarkers related to HDM-allergic asthma after the course of immunotherapy treatment suggests further, broader studies on the feasibility of their role as immunity biomarkers in the control and remission of HDM-allergic asthma.

屋尘螨(HDM)过敏性哮喘是一种异常的免疫反应，发现在人类附近的外源性空气过敏原。研究相关免疫生物标志物的作用及其相互作用有助于发现新的治疗策略，可用于辅助有效的长期免疫治疗。本研究探讨hdm变应性哮喘患者血清总IgE、fox01、SIRT1基因表达情况。我们为以下三组分别招募了40名患者:HV组的健康志愿者和HDM/AA组和HDM/SCIT组的HDM过敏性哮喘患者，他们在本研究招募前分别未接受免疫治疗和接受免疫治疗。结果表明，总IgE在HDM/AA组显著升高，而在HDM/SCIT组几乎没有下降。FoxO1和SIRT1基因的表达在HDM/SCIT组中均达到最高水平。总IgE与fox01和SIRT1在HDM/AA组呈负相关，与SIRT1在HDM/SCIT组呈正相关。综上所述，三种与hdm过敏性哮喘相关的免疫生物标志物在免疫治疗过程后的相互作用表明，它们作为免疫生物标志物在控制和缓解hdm过敏性哮喘中的可行性可以进一步进行更广泛的研究。

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引用次数: 0

E-Cigarettes and Associated Health Risks: An Update on Cancer Potential 电子烟和相关的健康风险:潜在癌症的最新进展

Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-11-14 DOI: 10.3390/arm91060038

Rakesh Sahu, Kamal Shah, Rishabha Malviya, Deepika Paliwal, Sakshi Sagar, Sudarshan Singh, Bhupendra G. Prajapati, Sankha Bhattacharya

The potential cancer risk associated with electronic-cigarette (e-cigarette) use is ongoing and remains a subject of debate. E-Cigarettes work by heating a liquid that usually contains nicotine, flavorings, and other chemicals. When the liquid is heated, users inhale an aerosol into their lungs. While e-cigarettes are generally considered less harmful than traditional tobacco products, they still contain potentially harmful chemicals, which can damage DNA and lead to cancer. Several studies have investigated the potential cancer risk associated with e-cigarette use, while other studies have suggested that e-cigarette aerosol may contain carcinogenic chemicals that could increase the risk of lung and bladder cancer in humans. However, these studies are limited in their scope and do not provide conclusive evidence. Overall, the long-term cancer risk associated with e-cigarette use remains uncertain, more research is needed to fully understand the potential risks and benefits of e-cigarettes. However, this review will allow the investigator to get more recent updates about e-cigarettes.

与电子烟(电子烟)使用相关的潜在癌症风险正在进行中，并且仍然是一个有争议的话题。电子烟的工作原理是加热通常含有尼古丁、调味剂和其他化学物质的液体。当液体被加热时，使用者将气溶胶吸入肺部。虽然电子烟通常被认为比传统烟草产品危害小，但它们仍然含有潜在的有害化学物质，这些化学物质会损害DNA并导致癌症。一些研究调查了与电子烟使用相关的潜在癌症风险，而其他研究表明，电子烟气溶胶可能含有致癌化学物质，可能会增加人类患肺癌和膀胱癌的风险。然而，这些研究的范围有限，并没有提供确凿的证据。总的来说，与电子烟使用相关的长期癌症风险仍然不确定，需要更多的研究来充分了解电子烟的潜在风险和益处。然而，这篇综述将使研究人员能够获得有关电子烟的更多最新信息。

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引用次数: 0

The Impact of Comprehensive Rehabilitation on the Exercise Capacity of Patients after COVID-19 综合康复对新冠肺炎患者运动能力的影响

Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-11-14 DOI: 10.3390/arm91060037

Alicja Mińko, Agnieszka Turoń-Skrzypińska, Aleksandra Rył, Iwona Rotter

Coronavirus Disease 2019 (COVID-19) is a complex disease that affects multiple body systems, including the respiratory, cardiovascular, neurological, and muscular systems. It is estimated that approximately half of the patients after the treatment for COVID-19 experience persistent symptoms that lead to a decreased physical capacity. Scientific recommendations suggest that cardiovascular and respiratory rehabilitation programs should be implemented in patients who have completed treatment for COVID-19. Therefore, the objective of this study was to evaluate the impact of comprehensive rehabilitation on the exercise capacity of patients after COVID-19 treatment. The study included 146 patients after the treatment for COVID-19 who were eligible for therapeutic rehabilitation. The exercise capacity was assessed using the 6-minute walk test (6MWT). The results showed that patients who underwent rehabilitation had an average increase of 23.83% in their 6MWT score compared to the baseline. A comprehensive rehabilitation program including breathing exercises, aerobic training, and strength and endurance exercises is an effective intervention that can improve the physical capacity of patients after COVID-19 treatment.

2019冠状病毒病(COVID-19)是一种复杂的疾病，影响多个身体系统，包括呼吸系统、心血管系统、神经系统和肌肉系统。据估计，在接受COVID-19治疗后，约有一半的患者会出现持续症状，导致身体能力下降。科学建议建议，应在完成COVID-19治疗的患者中实施心血管和呼吸康复计划。因此，本研究的目的是评估综合康复对COVID-19治疗后患者运动能力的影响。该研究包括146名COVID-19治疗后符合治疗性康复条件的患者。采用6分钟步行测试(6MWT)评估运动能力。结果显示，接受康复治疗的患者6MWT评分较基线平均提高23.83%。包括呼吸练习、有氧训练、力量和耐力训练在内的综合康复计划是一种有效的干预措施，可以改善COVID-19治疗后患者的身体能力。

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引用次数: 0

In Silico Design of a New Epitope-Based Vaccine against Grass Group 1 Allergens 基于表位的草1族过敏原新疫苗的芯片设计

Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-11-08 DOI: 10.3390/arm91060036

Dzhemal Moten, Tsvetelina Batsalova, Desislava Apostolova, Tsvetelina Mladenova, Balik Dzhambazov, Ivanka Teneva

Allergic diseases are a global public health problem that affects up to 30% of the population in industrialized societies. More than 40% of allergic patients suffer from grass pollen allergy. Grass pollen allergens of group 1 and group 5 are the major allergens, since they induce allergic reactions in patients at high rates. In this study, we used immunoinformatic approaches to design an effective epitope-based vaccine against the grass group 1 allergens. After the alignment of all known pollen T-cell and B-cell epitopes from pollen allergens available in the public databases, the epitope GTKSEVEDVIPEGWKADTSY was identified as the most suitable for further analyses. The target sequence was subjected to immunoinformatics analyses to predict antigenic T-cell and B-cell epitopes. Population coverage analysis was performed for CD8+ and CD4+ T-cell epitopes. The selected T-cell epitopes (VEDVIPEGW and TKSEVEDVIPEGWKA) covered 78.87% and 98.20% of the global population and 84.57% and 99.86% of the population of Europe. Selected CD8+, CD4+ T-cell and B-cell epitopes have been validated by molecular docking analysis. CD8+ and CD4+ T-cell epitopes showed a very strong binding affinity to major histocompatibility complex (MHC) class I (MHC I) molecules and MHC class II (MHC II) molecules with global energy scores of −72.1 kcal/mol and −89.59 kcal/mol, respectively. The human IgE-Fc (PDB ID 4J4P) showed a lower affinity with B-cell epitope (ΔG = −34.4 kcal/mol), while the Phl p 2-specific human IgE Fab (PDB ID 2VXQ) had the lowest binding with the B-cell epitope (ΔG = −29.9 kcal/mol). Our immunoinformatics results demonstrated that the peptide GTKSEVEDVIPEGWKADTSY could stimulate the immune system and we performed ex vivo tests showed that the investigated epitope activates T cells isolated from patients with grass pollen allergy, but it is not recognized by IgE antibodies specific for grass pollen allergens. This confirms the importance of such studies to establish universal epitopes to serve as a basis for developing an effective vaccine against a particular group of allergens. Further in vivo studies are needed to validate the effectiveness of such a vaccine against grass pollen allergens.

过敏性疾病是一个全球性的公共卫生问题，影响着工业化社会中高达30%的人口。超过40%的过敏患者患有草花粉过敏。第1组和第5组的草花粉过敏原是主要的过敏原，因为它们在患者中引起过敏反应的比例很高。在这项研究中，我们使用免疫信息学方法设计了一种有效的基于表位的草1组过敏原疫苗。在对公共数据库中花粉过敏原中所有已知的花粉t细胞和b细胞表位进行比对后，确定GTKSEVEDVIPEGWKADTSY表位最适合进一步分析。靶序列进行免疫信息学分析以预测抗原t细胞和b细胞表位。对CD8+和CD4+ t细胞表位进行人群覆盖率分析。所选择的t细胞表位(VEDVIPEGW和TKSEVEDVIPEGWKA)分别覆盖全球人口的78.87%和98.20%，欧洲人口的84.57%和99.86%。选定的CD8+、CD4+ t细胞和b细胞表位通过分子对接分析得到验证。CD8+和CD4+ t细胞表位对主要组织相容性复合体(MHC) I类(MHC I)和MHC II类(MHC II)分子具有很强的结合亲和力，整体能量评分分别为- 72.1 kcal/mol和- 89.59 kcal/mol。人IgE- fc (PDB ID 4J4P)与b细胞表位的亲和力较低(ΔG =−34.4 kcal/mol)，而Phl p 2特异性人IgE Fab (PDB ID 2VXQ)与b细胞表位的亲和力最低(ΔG =−29.9 kcal/mol)。我们的免疫信息学结果表明，肽GTKSEVEDVIPEGWKADTSY可以刺激免疫系统，我们进行的离体实验表明，所研究的表位可以激活从草花粉过敏患者分离的T细胞，但它不被草花粉过敏原特异性的IgE抗体识别。这证实了这类研究对建立通用表位的重要性，可以作为开发针对特定过敏原组的有效疫苗的基础。需要进一步的体内研究来验证这种疫苗对草花粉过敏原的有效性。

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引用次数: 0

Molecular Docking and ADME-TOX Profiling of Moringa oleifera Constituents against SARS-CoV-2 辣木抗SARS-CoV-2活性成分的分子对接及ADME-TOX分析

Q3 RESPIRATORY SYSTEM

Advances in respiratory medicine

Pub Date : 2023-10-27 DOI: 10.3390/arm91060035

Hellen Cris Araújo Souza, Maycon Douglas Araújo Souza, Cássio Silva Sousa, Edilanne Katrine Amparo Viana, Sabrina Kelly Silva Alves, Alex Oliveira Marques, Arthur Serejo Neves Ribeiro, Vanessa de Sousa do Vale, Muhammad Torequl Islam, João Antônio Leal de Miranda, Marcelo da Costa Mota, Jefferson Almeida Rocha

The SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2019) etiological agent, which has a high contagiousness and is to blame for the outbreak of acute viral pneumonia, is the cause of the respiratory disease COVID-19. The use of natural products grew as an alternative treatment for various diseases due to the abundance of organic molecules with pharmacological properties. Many pharmaceutical studies have focused on investigating compounds with therapeutic potential. Therefore, this study aimed to identify potential antiviral compounds from a popular medicinal plant called Moringa oleifera Lam. against the spike, Mpro, ACE2, and RBD targets of SARS-CoV-2. For this, we use molecular docking to identify the molecules with the greatest affinity for the targets through the orientation of the ligand with the receptor in complex. For the best results, ADME-TOX predictions were performed to evaluate the pharmacokinetic properties of the compounds using the online tool pkCSM. The results demonstrate that among the 61 molecules of M. oleifera, 22 molecules showed promising inhibition results, where the compound ellagic acid showed significant molecular affinity (−9.3 kcal.mol−1) in interaction with the spike protein. These results highlight the relevance of investigating natural compounds from M. oleifera as potential antivirals against SARS-CoV-2; however, additional studies are needed to confirm the antiviral activity of the compounds.

SARS-CoV-2(严重急性呼吸系统综合征冠状病毒2019)病原体是导致急性病毒性肺炎爆发的高传染性病原体，也是导致COVID-19呼吸道疾病的原因。由于丰富的具有药理特性的有机分子，天然产物的使用作为各种疾病的替代治疗方法而增长。许多药物研究都集中在研究具有治疗潜力的化合物。因此，本研究旨在从一种流行的药用植物辣木中鉴定潜在的抗病毒化合物。针对SARS-CoV-2的spike、Mpro、ACE2和RBD靶标。为此，我们采用分子对接的方法，通过配体与受体在复合物中的取向，鉴定出与靶标亲和力最大的分子。为了获得最佳结果，使用在线工具pkCSM进行ADME-TOX预测，以评估化合物的药代动力学性质。结果表明，在油橄榄61个分子中，22个分子表现出良好的抑制效果，其中化合物鞣花酸与刺突蛋白的相互作用表现出显著的分子亲和力(−9.3 kcal.mol−1)。这些结果突出了研究油橄榄属天然化合物作为潜在抗病毒药物的相关性;然而，需要进一步的研究来证实这些化合物的抗病毒活性。

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引用次数: 0