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Investigation of SARS-CoV-2 Main Protease Potential Inhibitory Activities of Some Natural Antiviral Compounds Via Molecular Docking and Dynamics Approaches

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Phyton-International Journal of Experimental botany 2022年第5期91卷 1089-1104页

作者： Nada M.Mostafa Muhammad I.Ismail Amr M.El-Araby Dina M.bahgat Ahmed M.Elissawy Ahmed M.Mostafa Omayma A.Eldahshan abdel nasser b.singab Department of Pharmacognosy Faculty of PharmacyAin Shams UniversityCairo11566Egypt Department of Pharmaceutical Chemistry Faculty of PharmacyThe British University in EgyptCairo11837Egypt Department of Pharmaceutical Chemistry Faculty of PharmacyAin Shams UniversityCairo11566Egypt Department of biochemistry Faculty of PharmacyAin Shams UniversityCairo11566Egypt Center for Drug Discovery and Development Research Ain Shams UniversityCairo11566Egypt

Coronaviruses caused an outbreak pandemic disease characterized by a severe acute respiratory distress syndrome leading to the infection of more than 200 million patients and the death of more than 4 million *** primary treatment is either supportive or *** products have an important role in the development of various ***,screening of natural compounds with reported antiviral activities can lead to the discovery of potential inhibitory entities against *** the current study,an in-silico molecular docking experiment was conducted on the effects of some of these natural antiviral phytoconstituents,(e.g.,procyanidin b2,theaflavin,quercetin,ellagic acid,caffeoylquinic acid derivatives,berginin,eudesm-1β,6α,11-triol and arbutin),on the crystal structure of SARS-CoV-2 main protease(PDb ID:6w63)using AutoDock-Vina *** of the docked compounds revealed good binding affinity,with procyanidin b2(–8.6 Kcal/mol)and theaflavin(–8.5 Kcal/mol)showing a better or similar binding score as the ligand(–8.5 Kcal/mol).Molecular dynamics simulations were carried out at 100 ns and revealed that procyanidin b2 forms a more stable complex with SARS-CoV-2 main protease than *** b2,theaflavin,and 4,5-dicaffeoylquinic acid were evaluated for toxicity by ProTox-II webserver and were non-toxic according to the predicted LD50 values and safe on different organs and ***,these phytoconstituents showed good ADME properties and acceptable lipophilicity,as evaluated using *** the tested compounds,procyanidin b2 showed the highest lipophilic *** is worth mentioning that these natural inhibitiors of SARS-CoV-2 main protease are components of green and black tea that can be used as a supporting supplement for COVID patients or as potential nuclei for further drug design and development campaigns.

关键词： Coronavirus natural products SARS-CoV-2 main protease molecular docking molecular dynamics tea

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Chemical Composition,Cytotoxic and Anti-arthritic Activities of Hexane Extracts of Certain Schinus Species

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Journal of Pharmacy and Pharmacology 2021年第11期9卷 378-386页

作者： Heba A.S.El-Nashar Nada M.Mostafa Omayma A.Eldahshan abdel nasser b.singab Department of Pharmacognosy Faculty of PharmacyAin Shams UniversityAbbassiaCairoEgypt Center for Drug Discovery Research and Development Faculty of PharmacyAin Shams UniversityCairoEgypt

The genus Schinus(Anacardiaceae)comprises about 29 species that are utilized in both traditional and current medicine to alleviate various disorders such as rheumatism,bronchial infections,stomach upset,menstrual disturbance,bronchitis,and *** this study we aimed to investigate the chemical composition of hexane extracts obtained from Schinus polygamous and Schinus terebinthifolius leaves as well as their cytotoxic and anti-arthritic *** GC-MS analysis of *** leaves revealed identification of fifty-five components:being betulin(6.54%),phytol acetate(5.27%),lupeol(3.96%),palmitic acid methyl ester(3.58%)and heptacosane(3.25%).While,seventeen compounds were identified in *** leaves,predominately characterized by phytol(14.70%),lupeol(13.33%),linolenic acid methyl ester(11.17%),palmitic acid methyl ester(7.74%),and 28-oxours-12-en-3-yl acetate(7.44%).both extracts showed moderate cytotoxic activities against hepatocellular carcinoma cells with IC_(50) values of 102.65 and 65.55μg/mL,*** colorectal carcinoma cell line presented IC_(50) values of 217.78 and 83.55μg/mL,***,both extracts provided moderate anti-arthritic effects(IC_(50):80.12 and 63.09μg/mL,respectively)using protein denaturation test,compared to diclofenac sodium(IC_(50)=15.12μg/mL).

关键词： Schinus polygamous Schinus terebinthifolius betulin Phytol Cytotoxic Anti-arthritic

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On thermodynamic self-consistency of generic axiomatic-nonextensive statistics

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Chinese Physics C 2017年第5期41卷 73-90页

作者： abdel nasser Tawfik Hayam Yassin Eman R.Abo Elyazeed Egyptian Center for Theoretical Physics (ECTP) Modern University for Technology and Information (MTI) 11571 Cairo Egypt World Laboratory for Cosmology and Particle Physics (WLCAPP) 11571 Cairo Egypt Physics Department Faculty of Women for Arts Science and Education Ain Shams University 11577 Cairo Egypt

Generic axiomatic-nonextensive statistics introduces two asymptotic properties,to each of which a scaling function is *** first and second scaling properties are characterized by the exponents c and d,*** the thermodynamic limit,a grand-canonical ensemble can be *** thermodynamic properties of a relativistic ideal gas of hadron resonances are studied,*** is found that this generic statistics satisfies the requirements of the equilibrium *** aspects of the thermodynamic self-consistency are *** expressions are proposed for the statistical fits of various transverse momentum distributions measured in most-central collisions at different collision energies and colliding *** for the freezeout temperature（T_（ch）） and the baryon chemical potential（μ_b） and the exponents c and d are *** earlier are found compatible with the parameters deduced from boltzmann-Gibbs（bG） statistics（extensive）,while the latter refer to generic *** resulting equivalence class（c,d） is associated with stretched exponentials,where Lambert function reaches its asymptotic *** some measurements,the resulting nonextensive entropy is linearly composed on extensive *** from power-scaling,the particle ratios and yields are excellent quantities to highlighting whether the particle production takes place（non）*** particle ratios and yields measured by the STAR experiment in central collisions at 200,62.4 and 7.7 GeV are fitted with this novel *** found that both c and d 〈 1,*** to neither bG-nor Tsallis-type statistics,but to（c,d）-entropy,where Lambert functions exponentially *** freezeout temperature and baryon chemical potential are found comparable with the ones deduced from bG statistics（extensive）.We conclude that the particle production at STAR energies is likely a nonextensive process but not necessarily bG or Tsallis

关键词： thermodynamic consistency asymptotic relativistic momentum quantities exponentially collision entropy generic

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Effect of Plastic Deformation on Microstructure, Hardness and Electrical Properties of 3003 Aluminum Alloys

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材料科学与工程（中英文b版） 2012年第8期2卷 458-463页

作者： Mohamed Osman abdel-Hamed nasser abdel-Azeem Kamel Safwat Ahmed Aly Faculty of Science Physics Department El-Minia University Egypt

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Endometrial Hyperplasia: Epidemiological Profile of Patients and Anatomical and Clinical Aspects of Lesions at Conakry University Hospital

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Open Journal of Obstetrics and Gynecology 2019年第2期9卷 260-266页

作者： M. C. Diallo E. M. bah b. A. Diallo I. K. bah A. Diallo O. baldé A. Sylla A. baldé I. S. baldé A. b. Diallo Obstetrical Gynecology Department Gamal Abdel Nasser University Conakry Guinea Donka Obstetrical Gynecology Department Gamal Abdel Nasser University Conakry Guinea Donka Anatomy and Pathological Cytology Department Gamal Abdel Nasser University Conakry Guinea

Summary: Estimate the incidence of endometrial hyperplasia according to socio-demographic parameters and the type of lesions histological. Methodology: This was a retrospective, and 15-year descriptive study from January 1, 2000 to December 31, 2014 conducted at the Department of Anatomy and Pathological Cytology of the National Hospital Donka in collaboration with the obstetric gynecology departments of the Conakry University Hospital. Results: We collected 296 cases of malignant and benign endometrial hyperplasia in 15 years, accounting for 37% of all endometrial biopsy curettages examined. The age group 47 to 56 years was the most affected (81 cases) or 27, 36%. The mean age was 53.6 years with extremes of 27 and 83 years. Metrorrhagia was the main reason for consultation (206 cases), i.e. 69.59%. The suspicion of endometrial hyperplasia by physicians was the most frequently diagnosed circumstance (149 cases) or 50.33%. biopsy curettage was the most frequently used method (176 cases), is 59.45%. Histological endometrial lesions of atypical complex adenomatous hyperplasia (79 cases) represented 26.69%. benign behavior was most frequently observed in (235 cases) or 79.39%. Conclusion: Endometrial hyperplasia is an endometrial lesion whose atypical histological types represent the borderline lesions between benignity and malignancy.

关键词： Endometrial Hyperplasia Epidemiology Anatomoclinical CHU Conakry

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Obstetrical Complications of Female Genital Mutilation: Management Maternal-Fetal Medical Care and Prognosis, Obstetrical Gynecology Regional Hospital, Unit of N'zérékoré

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Open Journal of Obstetrics and Gynecology 2019年第2期9卷 196-206页

作者： b. A. Diallo E. M. bah O. H. bah I. Conté I. K. bah I. S. Diallo b. S. Diallo I. S. Sow S. Touré D. Sidibé M. D. baldé Donka National Hospital Gamal Abdel Nasser University Conakry Guinea Ignace-Deen National Hospital Gamal Abdel Nasser University Conakry Guinea Institute of Nutrition and Child Health (INCH) Donka Guinea N’zerekoré Regional Hospital N’zérékoré Guinea

Introduction: Female Genital Mutilation (FGM) is a public health problem. There are 100 to 140 million girls and women who suffer every year in the world [1]. The aim of this study is to improve the medical care and reduce complications of FGM at the Regionalhospital of N’zérékoré, to determine their frequency, and to evaluate the maternal-fetalprognosis. Methods: The study was conducted at the Regional Hospital of N’zérékoré. This was a cross-sectional, descriptive and analytic study of 6 months, from 1 September 2016 to 28 February 2017, including all pregnant women admitted for childbirth who had a complication of female genital mutilation. Results: A total of 1295 women gave birth in the service, of which 1204 women were women with female genital mutilation. Given a frequency of 92.97%, of these 1204 mutilated women, 223 presented obstetrical complications during their delivery, a proportion of 17.22%. They were mostly young patients, mostly housewives who were not in school. Type II FGM was the most common (53.06%). Obstetric complications were dominated by complicated perinatal tears (54.08%), and hemorrhages (40.81%). The catch was dominated by perineorrhaphy. Conclusion: The frequency of FGM was 92.97% and that of their obstetric complications 17.22%. Most were house-wives, not in school. There was FGM type II. The abandonment of FGM would reduce maternal and perinatal morbidity and mortality.

关键词： Female Genital Mutilation Obstetric Complications Maternal Fetal Prognosis

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Impact and Analysis of Prognostic Factors in Patients with Non-Metastatic Esophageal Squamous Cell Carcinoma: A Retrospective Single Institution Study

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Open Journal of Internal Medicine 2021年第4期11卷 265-274页

作者： M. Keita M. bah A. M. Koundouno M. Diallo A. Camara I. K. Conde Wenbin Shen b. Traore S. C. Zhu Department of Radiotherapy The Fourth Hospital Hebei Medical University Shijiazhuang China Surgical Oncology Unit of Donka University Hospital Conakry Guinea Faculty of Health Sciences and Techniques of Gamal abdel nasser University of Conakry Conakry Guinea

Objective: To investigate the impact of local tumor factors on the prognosis of non-metastatic esophageal squamous cell carcinoma patients. Methods: We performed a retrospective analysis of data from 278 consecutive esophageal squamous cell carcinoma patients between January 2009 and December 2016. The prognosis factors such as the GTV volume, GTV maximum diameter, and GTV length were analyzed. Results: The results of ROC curve analysis showed that prognosis critical values of the GTV volume, GTV maximum diameter, and GTV length were 27.98 cm3, 1.80 and 5.85 cm, respectively. The result of the univariate analysis showed that the GTV volume (P = 0.0184), GTV maximum diameter (P = 0.0246), and GTV length (P = 0.0035) were the prognostic factors for overall survival;the barium meal length (P = 0.0149) was the prognostic factor for local control. The multivariate analysis showed that the barium meal length (P = 0.0013), GTV maximum diameter (P = 0.0047), and GTV length (P = 0.0032) as the independent prognostic factors associated with overall survival;the barium meal length (P = 0.0037) was the only independent prognostic factors for local control. Conclusion: The esophageal lesion length was the main prognosis factor for patients with non-metastatic esophageal squamous cell carcinoma. Therefore, we suggest that the physician must give enough attention to these patients in clinical practice, and give active treatment.

关键词： Esophageal Squamous Cell Carcinoma Radiotherapy Non-Metastasis Tumor Local Factors Prognosis

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Dyspnea in a 26-Year-Old Woman with Fatal Left Atrial Myxoma

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World Journal of Cardiovascular Diseases 2023年第6期13卷 309-312页

作者： Ibrahima Sory Sylla Mamadou Aliou baldé Mamadou bassirou bah Sana Samoura Souleymane Diakité Alpha Koné Ibrahima Sory barry Mariame béavogui Djibril Sylla Elhadj Yaya baldé Mamadi Condé Mamadou Dadhi baldé Department of Cardiology Ignace Deen National Hospital Conakry Guinea Faculty of Health Sciences and Techniques Gamal Abdel Nasser University of Conakry Conakry Guinea Department of Cardiology Sino-Guinean Hospital Conakry Guinea Department of Internal Medicine CHU Conakry Guinea

Cardiac myxoma is one of the primary intracardiac tumours. We report the case of a left atrial myxoma in a 26-year-old female patient admitted for investigation of dyspnoea. Echocardiography led to the diagnosis of a giant hypermobile myxoma prolapsing into the left ventricle. The patient died before being evacuated for surgical treatment.

关键词： Myxoma Left Atrium Echocardiography

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Congenital Malaria and Pregnancy Monitoring Parameters in Health Facilities in Guinea

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Open Journal of Obstetrics and Gynecology 2019年第1期9卷 73-82页

作者： E. M. bah I. S. baldé I. S. Diallo b. Adiallo T. S. Diallo A. F. M. Soumah M. K. Camara T. Sy Gyneco-Obstetric Pulpit Gamal Abdel Nasser University Conakry Guinea Institute of Nutrition and Child Health (INCH) Donka Guinea Pediatric Pulpit Gamal Abdel Nasser University Conakry Guinea Public Health Pulpit Gamal Abdel Nasser University Conakry Guinea Executive Secretariat/National Comity against AIDS (ES/NCAA) Conakry Guinea

Malaria is much more common in pregnant women, especially during the third trimester of pregnancy, causing congenital infestation. Acute and severe complications are noted, including malignant malaria access and maternal and fetal mortality. Method: This was a three-month descriptive and analytical multicenter study, running from 1st January to 31st March 2015, conducted in 16 maternity hospitals at different levels of the health system pyramid. Results: Out of a total of 1772 mothers recruited for this study, 276 cases were tested positive (umbilical cordon and newborn’s heel). Among them, we reported 130 cases tested positive at newborn’s heel with congenital infestation confirmed by sampling on day 0, with a frequency of 7.3%. The average age of the mothers was 26 ± 14 years. With a predominance in the 20 - 35 age group (4.7%). Among mothers who were not exposed to preventive intermittent sulfadoxine pyrimethamine (IPT/SP) in malaria prevention, 6.1% of newborns tested positive. Of these, mothers who had less than 4 prenatal visits during pregnancy had a congenital malaria rate of 7.3%. Conclusion: Congenital malaria infestation exists in newborns despite adequate measures used in pregnant women (SP, antimalarial drugs). In Guinea, It is often found in newborns of mothers who suffer from malaria during pregnancy and whose prenatal cares are not regular.

关键词： Congenital Malaria Pregnancy Follow-Up Guinea

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Acute Thoracic Syndrome in Sickle Cell Children at the Pediatrics Department of Donka National Hospital

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Open Journal of Pediatrics 2020年第4期10卷 688-694页

作者： M. M. Diop A. barry M. L. Diallo E. Camara I. K. barry M. A. Doukoure M. C. barry S. b. Diallo N. V. Gateu Tadjom H. Dia M. P. Diallo Departement of Pediatric Donka National Hospital Conakry Guinea University Gamal abdel nasser of Conakry Conakry Guinea Pediatric Emergency Department Donka National Hospital Conakry Guinea Ignace Deen Department of Pediatrics Conakry Guinea

Introduction: Acute thoracic syndrome is the appearance of a new pulmonary infiltrate on radiology associated with fever, desaturation or respiratory signs. It is the second leading cause of hospitalization and the first cause of death in sickle cell patients. It is an acute pulmonary complication whose pathophysiological mechanisms are still poorly understood. This study aims to study the epidemiological, clinical, therapeutic and evolutionary aspects of Acute Chest Syndrome in children at the Pediatrics Department of Donka National Hospital. Method: This is a prospective study of descriptive type for a period of 6 months from February 19 to August 19, 2019 on patients with sickle cell disease who developed an ATS in the pediatrics department of Donka National Hospital. Epidemiological, clinical, therapeutic and evolutionary data were studied and proportionate data were calculated. Results: The frequency of ATS was 39%. The mean age of our patients was 9.83 years with the extremes of 4 and 16 years. The age group from 6 to 10 years with a frequency of 66.7% was the most affected. Fever was the main clinical manifestation, followed by hepatomegaly. All our patients were homozygous SS and

关键词： Sickle Cell Disease Acute Thoracic Syndrome Pediatrics Donka

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