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MOLECULAR MODELLING AND THEORETICAL DESIGN OF NOVEL NIRMATRELVIR DERIVATIVES AS SARS-COV-2 ENTRY INHIBITORS
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The pandemic SARS-CoV-2 is highly transmittable with its proliferation among nations. This study aims to design and exploring the efficacy of novel nirmatrelvir derivatives as SARS entry inhibitors by adapting a molecular modeling approach combined with theoretical design. The study focuses on the preparation of these derivatives and understanding their effectiveness, with a special focus on their binding affinity to the S protein, which is pivotal for the virus’s access to the host cell. Considering molecular docking aspects in the scope of a study on nirmatrelvir derivatives and S protein, dynamics simulations with 25 nanoseconds of their binding are explored. The study shows that these derivatives might work as effective antivirals against SARS-CoV-2 and that these findings should be followed by further preclinical and clinical trials to determine the safety, usefulness and feasibility of the compounds.

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Publication Date
Sat Nov 01 2014
Journal Name
Al-khwarizmi Engineering Journal
Experimental and Theoretical Investigation of Impact Dynamic Plasticity for CK45
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Abstract

This paper represents a study of the effect of the soil type, the drilling parameters and the drilling tool properties on the dynamic vibrational behavior of the drilling rig and its assessment in the drilling system. So first, an experimental drilling rig was designed and constructed to embrace the numerical work.

The experimental work included implementation of the drill-string in different types of soil with different properties according to the difference in the grains size, at different rotational speeds (RPM), and different weights on bit (WOB) (Thrust force), in a way that allows establishing the charts that correlate the vibration acceleration, the rate of penetration (ROP), and the power

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Publication Date
Wed Sep 06 2017
Journal Name
Journal Of Al-nahrain University
Preparation, Spectroscopic, Bioactive and Theoretical Studies of Mixed Ligand Complexes
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The mixed ligands complexes of 8-hydroxyquinoline and Schiff base 1, 5-dimethyl-4-(5- oxohexan-2-ylideneamino)-2-phenyl-1H-pyrazol-3 (2H)-one (L) with Cr(III) , Mn(II), Fe(II), Co(II) , Ni(II), Cu(II) and Zn(II) ions were prepared. The compounds have been characterized by NMR, FT-IR, UV-Vis and mass spectra, elemental microanalysis (C.H.N.), magnetic moment, chloride contain, atomic absorption and molar conductance. All prepared complexes were octahedral geometry. Compound structures treated theoretically using the program hyper chem. 8 in gas phase at 298°K. The compounds were also screened for their bioactive property such as antifungal and antibacterial.

Publication Date
Sat Oct 12 2024
Journal Name
Biorxiv
The thermotolerant Arabian killifish,<i>Aphanius dispar</i>, as a novel infection model for human fungal pathogens
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Abstract<p><italic>Candida albicans</italic>: a fungal pathogen, can cause superficial and fatal infections in humans. An important virulence factor in<italic>C. albicans</italic>dissemination is the transformation from yeast to an invasive hyphal form, which is favoured at human body temperature. Zebrafish, a useful model for studying<italic>C. albicans</italic>infections, cannot survive at 37°C. Arabian killifish,<italic>Aphanius dispar</italic>, an emerging teleost model can tolerate temperatures up to 40 °C for up to 12 days (independent feeding time) allowing for longer analysis compared to zebrafish. This study introduces<italic>A. dispar</italic>as a th</p> ... Show More
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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Theoretical Study of Density Distributions and Size Radii of 8B and 17Ne
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Publication Date
Tue Jan 01 2013
Journal Name
Journal Of Babylon University
Synthesis and Identification of Pyromellitamic diacids and Pyromellitdiimides derivatives.
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New derivatives of pyromellitamic diacids and pyromellitdiimides have been prepared by the reaction of one mole of pyromellitic dianhydride with two moles of aromatic amines, these derivatives were characterized by elemental analysis, FT-IR and melting point.

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Publication Date
Wed Dec 30 2015
Journal Name
Al-kindy College Medical Journal
Association between glycaemic control and serum lipid profile in type 2 diabetic patients: Glycatedhaemoglobin as a dual biomarker
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Background: Patients with type 2 diabetes have an increased prevalence of lipid abnormalities, contributing to their high risk of cardiovascular diseases (CVD).Glycated hemoglobin (HbA1c) is a routinely used marker for long-term glycemic control. In accordance with its function as an indicator for the mean blood glucose level, HbA1c predicts the risk for the development of diabetic complications in diabetic patients[2].Apart from classical risk factors like dyslipidemia, HbA1c has now been regarded as an independent risk factor for (CVD) in subjects with or without diabetes.Objective The aim of this study was to find out association between glycaemic control (HbA1c as a marker) and serum lipid profile in type 2 diabetic patients.Methods

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Publication Date
Sat Jun 01 2013
Journal Name
Journal Of The College Of Basic Education
Beta-2-Microglobulin as a Biomarker in Iraqi Female Patients with Autoimmune Thyroid and Renal Autoimmune Thyroid Diseases
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The present study was performed on 80 female subjects between (30-60) years, who attended the Specialized Center for Endocrinology and Diabetes during the period from April to July; 2011. The subjects were divided into 3 groups : controls , non diabetic autoimmune thyroid patients , and non diabetic autoimmune thyroid patient with renal diseases as complication The results showed a significant increase in serum T 3 T4 levels in hyperthyroidism patients, and significant decrease in serum T3,T4 levels in hypothyroidism patients ,while a significant difference in serum TSH levels in hyperthyroidism and hypothyroidism patients when compared to control group The results show also a significant increase in serum antibodies to thyroid peroxidas

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Publication Date
Sat Sep 23 2023
Journal Name
Journal Of Cardiovascular And Thoracic Research
Plasminogen activator urokinase receptor as a diagnostic and prognostic biomarker in type 2 diabetic patients with cardiovascular disease
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Introduction: Cardiovascular diseases are the main cause of death among type 2 diabetic patients. Higher levels of plasminogen activator urokinase receptor have been found to predict morbidity and mortality across acute and chronic diseases in the common populace. This study aims to explore the role of serum plasminogen activator urokinase receptor levels as a cardiometabolic risk factor among type 2 diabetic Iraqi patients. Methods: Seventy type 2 diabetic patients (40 male and 30 female) (mean age: 46.20±7.56 years) participated in this study; 35 patients were with cardiovascular disease and 35 were without cardiovascular disease; their ages range was 40-55 years. In addition, 30 individuals who apparently healthy were selected a

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Publication Date
Sat May 30 2026
Journal Name
Iraqi Journal Of Science
Leucine-rich alpha-2-glycoprotein-1 as a Potential biomarker for polycystic ovary syndrome
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     Polycystic ovary syndrome (PCOS) is a common endocrine disorder affecting women of reproductive age, characterized by anovulatory, infertility and metabolic disturbances. This study aimed to assess the diagnostic accuracy of Leucine-rich alpha-2-glycoprotein-1 (LRG1) and xanthine oxidase (XO) activity as novel biomarkers for PCOS, as well as to explore the relationship between LRG1 and XO activity across different groups. A total of 150 married women, aged 18-46 years were enrolled and divided into three groups: 50 with PCOS under treatment, 50 PCOS without treatment conditions shared by women with polycystic ovary conditions, and 50 healthy women. Serum samples were analysed to measure LRG1, xanthine oxidase (XO) activity,

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Publication Date
Fri May 01 2020
Journal Name
Journal Of Engineering
Parametric Study on Unconnected Piled Raft Foundation Using Numerical Modelling
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Piled raft is commonly used as foundation for high rise buildings. The design concept of piled raft foundation is to minimize the number of piles, and to utilize the entire bearing capacity. High axial stresses are therefore, concentrated at the region of connection between the piles and raft. Recently, an alternative technique is proposed to disconnect the piles from the raft in a so called unconnected piled raft (UCPR) foundation, in which a compacted soil layer (cushion) beneath the raft, is usually introduced.  The piles of the new system are considered as reinforcement members for the subsoil rather than as structural members. In the current study, the behavior of unconnected piled rafts systems has been studie

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