The Journal of Qazvin University of Medical Sciences最新文献

Impact of Smoking on mortality of hospitalized patients with COVID-19: a cross sectional study in Iran 吸烟对COVID-19住院患者死亡率的影响:伊朗的一项横断面研究

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.2741.1

S. Hashemipour, M. Gheraati, Milad Badri, Nafiseh Rastgoo, A. Shokri, Sohrab Esmaielzade, Khadijeh Esmaielzade

{"title":"Impact of Smoking on mortality of hospitalized patients with COVID-19: a cross sectional study in Iran","authors":"S. Hashemipour, M. Gheraati, Milad Badri, Nafiseh Rastgoo, A. Shokri, Sohrab Esmaielzade, Khadijeh Esmaielzade","doi":"10.32598/jqums.25.2.2741.1","DOIUrl":"https://doi.org/10.32598/jqums.25.2.2741.1","url":null,"abstract":"Objectives: There are inconsistent data about the association of smoking with prognosis in hospitalized patients with COVID-19. This inconsistency is so huge that some investigators hypothesized some protective roles of smoking against COVID-19 disease. This study has been designed to investigate the association of smoking with mortality in hospitalized patients with COVID-19. Methods: This cross sectional study was conducted on 493 adult patients with COVID-19 disease. Other underlying diseases, clinical and laboratory findings and mortality rates were compared between smoking and non-smoking patients using univariate and multivariate analyses. Results: Prevalence of current smoking among hospitalized patients was 6.1%. Clinical complaints and disease severity at admission were similar between smokers and non-smokers. Leukocytes count and blood sugar were higher in smokers compared to non-smokers (p=0.003, p=0.018, respectively). Rate of ICU admission and days of hospitalization were not different between smokers and non-smokers. However, smokers had a significantly higher mortality rate compared to non-smokers (36.7% vs 13.8%, respectively, p=0.001). After adjusting for significantly different variables in univariate analysis, smoking was associated with 3.78 times higher mortality rate (OR=3.78, 95% CI 1.48-9.67, P=0.005). Conclusion: Smoking is an independent predictor of mortality in hospitalized patients with COVID-19.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45689604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A comprehensive study of HSA interaction with TMP using molecular docking and molecular dynamics methods: as an appropriate tool for drug delivery systems 使用分子对接和分子动力学方法全面研究HSA与TMP的相互作用：作为药物递送系统的合适工具

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.2125.1

M. Salehi, Hanifeh Shariatifar, Morteza Ghanbari Johkool, A. Farasat

{"title":"A comprehensive study of HSA interaction with TMP using molecular docking and molecular dynamics methods: as an appropriate tool for drug delivery systems","authors":"M. Salehi, Hanifeh Shariatifar, Morteza Ghanbari Johkool, A. Farasat","doi":"10.32598/jqums.25.2.2125.1","DOIUrl":"https://doi.org/10.32598/jqums.25.2.2125.1","url":null,"abstract":"Background: Human serum albumin (HSA) is one of the most prominent protein in human blood. Trimethoprim (TMP) is an efficient antibiotic drug for treatment of pneumocystis pneumonia (PCP). Patients with HIV/AIDS and cancer are extremely affected by the disease due to immune system deficiency. Objective: The aim of this study is to evaluate the molecular dynamics simulation (MD) of HSA with TMP for drug delivery systems. Materials and methods: In the first step, the 3D structure of HSA and TMP were provided by PDB and PubChem respectively. Then, the molecular docking was done via AutoDock Vina software and the best complex was selected due to the lowest binding energy. Finally, the structural characteristics of the above complex was evaluated. Results: The results showed that TMP binds to the HSA molecule with a binding energy of -7.3 kcal/mol and this binding causes changes in third and second structure of the HSA. Thus, the RMSD and RG results proved the third structural changes and the results obtained from DSSP confirmed the second structural modifications. The TMP-HSA complex formation accompanied with hydrophobic interaction between residues; Tyr150 and Ala291, His288, Leu238, Leu219, Lys199, Lys195, Glu153 and TMP. The TMP molecule had two hydrogen bond with Arg222 residue and three with Ser192. Furthermore, the final PDB file of the MD simulation process showed that the TMP molecule had reaction HSA (IIA chain). Conclusion: Due to the extensive application of TMP in infectious disease and appropriate interaction with HSA, the complex could be used for targeted transport of nanoparticles in the future.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46003939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The roles of sex, Perceived Pain and illness Perceptions on Disease Activity in Rheumatoid Arthritis 类风湿性关节炎患者的性别、疼痛感和疾病感对疾病活动的影响

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.1487.5

M. Seirafi, S. Namjoo, M. Sabet

{"title":"The roles of sex, Perceived Pain and illness Perceptions on Disease Activity in Rheumatoid Arthritis","authors":"M. Seirafi, S. Namjoo, M. Sabet","doi":"10.32598/jqums.25.2.1487.5","DOIUrl":"https://doi.org/10.32598/jqums.25.2.1487.5","url":null,"abstract":"Background: In the “treating to target” strategy to rheumatoid arthritis (RA) management, “cognitive” beyond “physical” measures allow a more comprehensive assessment. This study reports a predictive analysis of patient properties on Disease Activity, and the degree to which these predictions could be uniquely attributable to Illness perception (IP), pain, and sex differences. Methods: This cross-sectional study was conducted in 108 patients with Rheumatoid Arthritis aged 18 to 65 years old, selected via convenience sampling. Measurements were collected using Disease Activity Score in 28 Joints (DAS28), patient's illness perception (IPQ-R), and numerical rating scale (NRS) for perceived pain. Data were analyzed applying Spearman and Pearson correlation coefficients and multiple stepwise regression (MSR) analyzes. Results: In correlation analysis, sex- Disease Activity association (.40**, P<0.01), Pain-Disease Activity association (.54**, P<0.01) were found. Additionally, we observed stronger and significant associations between IPQ-R subscales and Disease Activity [Identity (r =.53**, P<0.01) Personal control (r = -.40**, P<0.01) and Emotional representation (r =.36**, P<0.01)]. Regression analysis showed sex differences was a not significant predictor and perceived pain and three IPQ-R items (Identity, Personal control and Emotional representation) emerged as the strongest predictors (P<0.001). Conclusion: Disease Activity predicted by pain and three Illness perception items. By identifying the components affecting Disease Activity, the therapist can adjust complementary treatment according to patients' needs.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43440260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Antioxidant Supplements: A Promising Approach to improving COVID-19 Demonstrations 抗氧化剂补充剂：改善新冠肺炎症状的一种有前景的方法

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.1161.6

Sanaz Keshavarz Shahbaz, Y. Naderi, Samaneh Keshavarz hedayati, E. Aali

{"title":"Antioxidant Supplements: A Promising Approach to improving COVID-19 Demonstrations","authors":"Sanaz Keshavarz Shahbaz, Y. Naderi, Samaneh Keshavarz hedayati, E. Aali","doi":"10.32598/jqums.25.2.1161.6","DOIUrl":"https://doi.org/10.32598/jqums.25.2.1161.6","url":null,"abstract":"Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) that causes COVID-19 could progress to acute respiratory distress syndrome (ARDS). The immune cells' migration in response to virus lead to cell death by releasing oxidizing free radicals. These oxidizing free radicals mediate NF-κB activation and induce transcription of cytokine-producing genes that eventually a cytokine storm ensues, leading to septic shock. The over-expression of oxidative stress and enhancing ROS and RNS production activates transcription factors like NF-κB, so repeating this cycle intensifies the host inflammatory responses. In this way, antioxidants as compounds that inhibit oxidation by terminating chain reactions are suggested for alleviating the COVID-19 demonstration. In the present review study, the pathogenesis of the virus, the virus immunopathology, the balance between immune responses and oxidative stress are discussed. Also in this review, due to the importance of oxidative stress in the pathogenesis of the disease, some of the most important antioxidant agents whose therapeutic effects have been shown in improving many viral infections, ARDS, and acute lung injury, are recommended to improve the patient’s condition infected with SARS-CoV-2. Besides, the last COVID-19 clinical studies in this field are summarized in this review article. These studies described that melatonin through promoting sleep quality by decreasing vascular permeability, reducing anxiety, and regulating blood pressure; and vitamin C through decreasing the mortality rates and the requirement for mechanical ventilation; and Glutathione through decreasing respiratory distress in the pneumonia of COVID-19 patients; and higher selenium levels could improve the COVID-19 patients' clinical outcomes","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43127773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comparing bone mineral density in rheumatoid arthritis and psoriatic arthritis 类风湿关节炎与银屑病关节炎骨密度的比较

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.2773.1

F. Shirani, Amir Masoud Shahbazian, Solmaz Razi

{"title":"Comparing bone mineral density in rheumatoid arthritis and psoriatic arthritis","authors":"F. Shirani, Amir Masoud Shahbazian, Solmaz Razi","doi":"10.32598/jqums.25.2.2773.1","DOIUrl":"https://doi.org/10.32598/jqums.25.2.2773.1","url":null,"abstract":"Background: Changes in patients’ bone mineral density (BMD) is one of the problems in patients with rheumatoid arthritis, which can be due to the use of corticosteroid drugs to reduce patients' symptoms or due to the aging process in patients. In this study, we decided to compare BMD in patients with psoriatic arthritis and rheumatoid arthritis. Methods: This study as a cross-sectional descriptive-analytical study was performed to evaluate BMD in patients with psoriatic arthritis (n = 59) and rheumatoid arthritis (n = 41) that referred to Rasoul Akram Hospital in Tehran between 2016 and 2020. All patients were assessed by bone density scan (dual-energy X-ray absorptiometry or DEXA scan) to determine T score at the two spine and femur sites. Results: In the rheumatoid arthritis and psoriatic arthritis groups, the mean spine T score was -1.11±0.18 and -1.38±0.48, respectively, which did not show a significant difference between the two groups (p = 0.556). Similarly, in the two groups with rheumatoid arthritis and psoriatic arthritis, the mean femur T score was -1.36±0.17 and -1.78±0.61, respectively, which did not show a significant difference between the two groups (p = 0.451). Considering the underlying parameters including age, sex and duration of the disease, the lack of differences in the values of spine and femur T scores between the two groups was still evident. Conclusion: The change in BMD was equal in both rheumatoid arthritis and psoriatic arthritis that is not affected by gender, age or duration of disease.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46632661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The effects of oral silver nanoparticles and propolis on level of lipid peroxidation in male Wistar rats 口服纳米银和蜂胶对雄性Wistar大鼠脂质过氧化水平的影响

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.1249.4

H. Piri, Zahra Mohammadi, E. Aali, S. H. Hadi Hosseini, Y. Naderi, N. Gheibi

{"title":"The effects of oral silver nanoparticles and propolis on level of lipid peroxidation in male Wistar rats","authors":"H. Piri, Zahra Mohammadi, E. Aali, S. H. Hadi Hosseini, Y. Naderi, N. Gheibi","doi":"10.32598/jqums.25.2.1249.4","DOIUrl":"https://doi.org/10.32598/jqums.25.2.1249.4","url":null,"abstract":"Objective: Oxidative stress is a leading factor in the development of silver nanoparticle-induced toxicity. This study evaluated the effects of oral prescription of different doses of silver nanoparticles and propolis on lipid peroxidation in male Wistar rats. Materials and Methods: The male wistar rats were randomly divided into four groups. Control group and three different treatment groups with oral prescription of 30 ppm, 60 ppm, and 60 ppm of silver nanoparticles with 200 mg/kg of propolis. The Serum level of malondialdehyde (MDA) was measured by TBARS assay using Thiobarbituric acid (TBA). Results: The Serum level of MDA as a marker of lipid peroxidation in the control group was 1.92 mM/ml, and in other groups that received silver nanoparticles (30 ppm,60 ppm, 60 ppm with 200 mg/kg propolis) were respectively 2.82, 3.83 and 2.62 mM/ml. MDA level also increased at the doses of 30 ppm and 60 ppm compared to the control group and decreased when propolis was prescribed with silver nanoparticles in the third group; however, its value did not reach the level of the control group. Minimal levels of serum lipid peroxidation were observed when silver and propolis nanoparticles were administered to male rats. Conclusion: The mixture of silver nanoparticles and propolis reduces the toxic effects of silver nanoparticles; not only it preserves but also increases the efficiency of this compound in medical applications.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49063280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Wound healing using Semelil: A structured review with focus on diabetic foot ulcers Semelil用于伤口愈合：一项针对糖尿病足溃疡的结构化综述

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.667.9

Saeideh Makarem, Seyed Saeed Farzam, A. Allami

引用次数: 0

High frequency of nephropathy among the Iranian children and adolescents with type 1 diabetes 伊朗1型糖尿病儿童和青少年肾病发病率高

The Journal of Qazvin University of Medical Sciences Pub Date : 2022-03-06 DOI: 10.32598/jqums.25.2.1077.3

B. Arad, Victoria Chegini, Nadia Talati, A. Homaei, F. Saffari

{"title":"High frequency of nephropathy among the Iranian children and adolescents with type 1 diabetes","authors":"B. Arad, Victoria Chegini, Nadia Talati, A. Homaei, F. Saffari","doi":"10.32598/jqums.25.2.1077.3","DOIUrl":"https://doi.org/10.32598/jqums.25.2.1077.3","url":null,"abstract":"Background: Type 1 diabetes (T1D) is one of the most common chronic diseases in children, and nephropathy is a serious microvascular complication of T1D, which is associated with high mortality and morbidity. This study aimed to investigate the prevalence of diabetic nephropathy and comorbidities in children with T1D. Methods: This cross-sectional study was conducted on 208 children (aged 1–18 years old) with T1D referred to the Qazvin endocrinology clinic during 2017–2019. Anthropometric, demographic, laboratory, comorbidities data were collected. Results: The mean age at diagnosis of diabetes was 7.59 years, and the mean HbA1c level of the study subjects was 8.68 ± 1.42. Out of 208 diabetic patients, 64 (30.7%) had diabetic nephropathy, of which 53 (25.5%) had microalbuminuria, and 11 (5.3%) had macroalbuminuria. Among the studied diabetic patients, 30 (14.45%) had hypothyroidism, 12 patients (5.8%) had celiac disease, and 14 patients (6.7%) had anemia. Retinopathy was not found in any of the patients. Moreover, variables such as the duration of diabetes, puberty status, mean HbA1c levels, and age were significantly associated with diabetic nephropathy (p <0.05). Conclusion: In present study, 30.7% patients had diabetic nephropathy, of which 25.5% and 5.3% had microalbuminuria and macroalbuminuria, respectively. In addition, there was a significant relationship between puberty status and nephropathy (p <0.001). Also, mean HbA1c levels were significantly higher in patients with macroalbuminuria, which may corroborate the role of metabolic control of diabetes in the development of albuminuria.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42521156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification of Anti-HIV/Migraine Drugs as Potential Inhibitors of SARS-Cov2 Main Protease Using in Silico Assessments 用于Silico评估的抗HIV/偏头痛药物作为严重急性呼吸系统综合征冠状病毒2型主要蛋白酶的潜在抑制剂的鉴定

The Journal of Qazvin University of Medical Sciences Pub Date : 2021-09-01 DOI: 10.32598/jqums.25.3.1

Hanifeh Shariatifar, Amir Hooshmand, N. Gheibi, A. Farasat

{"title":"Identification of Anti-HIV/Migraine Drugs as Potential Inhibitors of SARS-Cov2 Main Protease Using in Silico Assessments","authors":"Hanifeh Shariatifar, Amir Hooshmand, N. Gheibi, A. Farasat","doi":"10.32598/jqums.25.3.1","DOIUrl":"https://doi.org/10.32598/jqums.25.3.1","url":null,"abstract":"Background: The acute respiratory syndrome named “COVID-19” is caused by a novel coronavirus called Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Lack of specific antiviral drugs or proper vaccination has led to the development of new therapeutic methods against this virus. Objective The Mpro 3Clpro is the main protease of the SARS-CoV-2 which plays an important role in replication and transcription of the virus. Therefore, targeting this enzyme is a valuable approach for drug development. Methods: In the present study, the structural properties of 69 anti-migraine and 212 anti-HIV drugs were first obtained from Drug Bank database. To select the appropriate drugs for the enzyme inhibition, the AutoDock Vina software was used. The molecular dynamics (MD) simulation method was applied for better recognition of the structural changes. Results: We identified Rimegepant (PubChem ID: 51049968), Dihydroergotamine (PubChem ID: 10531) and Ergotamine (PubChem ID: 8223) as potential inhibitors of Mpro 3Clpro. These complexes were equilibrated after 70 ns. Conclusion: Among these compounds, the anti-migraine drug “Rimegepant” showed the highest affinity for binding to the Mpro 3Clpro (-60.8 kJ/mol). This study provides enough evidence for further accomplishment of the identified compounds in the development of effective therapeutics methods against COVID-19.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43814920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantitative Structure-Activity Relationships and Molecular Docking Simulation of Allicin Compounds as Inhibitors of COVID-19 Protease Enzyme 大蒜素类新冠肺炎蛋白酶抑制剂的定量构效关系及分子对接模拟

The Journal of Qazvin University of Medical Sciences Pub Date : 2021-09-01 DOI: 10.32598/jqums.25.3.7

H. Piri, E. Hajialilo, Sayyed Nima Hashemi Ghermezi, Mohammad Taghi Goodarzi, Saeede Salemi-Bazargani, A. Eghdami

{"title":"Quantitative Structure-Activity Relationships and Molecular Docking Simulation of Allicin Compounds as Inhibitors of COVID-19 Protease Enzyme","authors":"H. Piri, E. Hajialilo, Sayyed Nima Hashemi Ghermezi, Mohammad Taghi Goodarzi, Saeede Salemi-Bazargani, A. Eghdami","doi":"10.32598/jqums.25.3.7","DOIUrl":"https://doi.org/10.32598/jqums.25.3.7","url":null,"abstract":"Background: Coronavirus (CoV) is a group of viruses that cause disease in humans and animals. These viruses contain crown-shaped spike glycoproteins on their surface. Objective: We conducted a quantitative structure-activity relationship (QSAR) study on a series of 36 compounds of allicin to assess their antiviral activities against the main protease of COVID-19. Methods: In the present descriptive-analytic study, the information on the structure of compounds, the COVID-19 protease enzyme, and the Allicin derivatives was obtained from the databases such as the Research Collaboratory for Structural Bioinformatics’ Protein Data Bank (PDB) and PubChem. The QSAR method, analysis of correlations and multiple linear regressions were carried out. Six molecular descriptors such as constitutional and molecular topology descriptors were selected for the model. Finally, molecular docking was performed in iGEMDOCK 2.1 software. Results: The obtained multi-parametric model reported a correlation coefficient of about 0.89, indicating that the model was able to satisfactory predict the antiviral activity of allicin compounds. Conclusion: The findings obtained can be valuable in designing, synthesizing, and developing novel antiviral agents with allicin-based scaffold.","PeriodicalId":22748,"journal":{"name":"The Journal of Qazvin University of Medical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49161678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0