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MOLECULAR MODELLING AND THEORETICAL DESIGN OF NOVEL NIRMATRELVIR DERIVATIVES AS SARS-COV-2 ENTRY INHIBITORS

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
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
FTIR Analysis and Characterizations of (SnO2:Ga2O3, CeO2 /Cu2S/c-pSi) Heterojunctions Solar Cells

      Compounds from tin oxide doped with gallium oxide and cerium oxide were synthesized. Thin films from (SnO2:Ga2O3,CeO2) with different doping ratios were prepared on glass and single crystal silicon as substrates with the use of the pulsed laser deposition technique. The results of FTIR spectrums analysis was presented. Varies heterojunctions were fabricated from (SnO2:Ga2O3,CeO2 /Cu2S/c-pSi) heterojunctions solar cell which are formed from two layers: the first was Cu2S and the second was layer from tin oxide doped with two oxides named gallium oxide and cerium oxide with different doping ratios (0, 0.03, 0.05, and 0.0

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Publication Date
Sun Jul 02 2017
Journal Name
Journal Of Educational And Psychological Researches
The dimensions forMarzano of learning and its relation with crisis management for teachers Kindergartens

importumt educational institution as (kindergartens) need teachers which qualified ownes modalities in their education for children , as Marzanu method in a way of learning and own methods of crisis management, because the teachers that own those styles of learning ginekindergarten children knowledge and the childrenIeaving based on theMeaing and knowledge and integration of their information, And teachers that earn methods of crisis management provide for the children of the kindergarten security within the educational institution which in turn affect the growth and development of the Child and then abilities, health physical, mental, psychological …etc.., The aims of the current research have identified to recognize: 1- the dimension

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of Pharmaceutical Negative Results
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Publication Date
Wed Dec 12 2018
Journal Name
Iop Conference Series: Materials Science And Engineering
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Publication Date
Sun Oct 30 2022
Journal Name
Iraqi Journal Of Science
An Internet of Things Botnet Detection Model Using Regression Analysis and Linear Discrimination Analysis

The Internet of Things (IoT) has become a hot area of research in recent years due to the significant advancements in the semiconductor industry, wireless communication technologies, and the realization of its ability in numerous applications such as smart homes, health care, control systems, and military. Furthermore, IoT devices inefficient security has led to an increase cybersecurity risks such as IoT botnets, which have become a serious threat. To counter this threat there is a need to develop a model for detecting IoT botnets.

This paper's contribution is to formulate the IoT botnet detection problem and introduce multiple linear regression (MLR) for modelling IoT botnet features with discriminating capability and alleviatin

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Publication Date
Mon Jul 05 2021
Journal Name
Revue Française D’allergologie
Publication Date
Wed Jan 01 2020
Journal Name
Research Journal Of Pharmacy And Technology
The Genoprotective Activity of Aqueous Green Tea extract against Metronidazole and Tinidazole Genotoxic Effect

Aim: The study designed to evaluate the Geno-protective effect of green tea extract against genotoxicity induced by metronidazole and tinidazole. Methods: Thirty-six mice were used, For each experiment, The animals divided into 6 groups: Group I- Negative control administered distilled water; Group II-Healthy mice treated with metronidazole alone, Group III- Healthy mice treated with tinidazole alone; Group IV- Healthy mice administered green tea extract alone Group V- Healthy mice treated with metronidazole, followed by green tea extract administration, Group VI- Healthy mice treated with tinidazole, followed by administration of green tea extract. Results: treatment with Tinidazole significantly increase total chromosomal aberration (0.18

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Publication Date
Thu Jul 01 2021
Journal Name
Diyala Journal For Pure Science
Survey of Air Quality and Health Risk Assessment Around East Baghdad Oil Field, Iraq

Air pollution evaluation of the operational processes in the East Baghdad oil field was carried out. The analysis was carried out by ICP-MS technique. Total Suspended Particles (TSP) air load was higher than Iraqi Standards and world international allowable limits of World Health Organization. The mean concentrations of gases carbon monoxide, carbon dioxide, sulfur dioxide, in the air were within national and world standards, while the mean concentration of nitrogen dioxide was higher than standard limits. The air of the study area is considered a good quality for CO, CO2 and NO2 with no health effect, while it is hazardous for TSP that have serious risk for people with respiratory disease. The mean concentrations of Cd, Cr, Cu and

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Publication Date
Fri Jul 24 2020
Journal Name
Al-kindy College Medical Journal
Speculations of Immunotherapy in COVID-19 Patients with Practical Applications During Childhood and Pregnancy

The rapid spread of novel coronavirus disease(COVID19) throughout the world without availablespecific treatment or vaccine necessitates alternativeoptions to contain the disease. Historically, childrenand pregnant women were considered high-riskpopulation of infectious diseases but rarely have beenspotlighted nowadays in the regular COVID-19updates, may be due to low global rates of incidence,morbidity, and mortality. However, complications didoccur in these subjects affected by COVID-19. Weaimed to explore the latest updates ofimmunotherapeutic perspectives of COVID-19patients in general population and some added detailsregarding pediatric and obstetrical practice.Immune system boosting strategy is one of therecently emerging issue

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Publication Date
Fri Dec 02 2022
Journal Name
International Journal Of Corrosion And Scale Inhibition
Anticorrosion, antimicrobial and antioxidant study of ZnO nanoparticles synthesized from Punica granatum (Pomegranate) extract

Metal and metal oxide NPs have shown to be perfectly synthesized by using plant extracts with high efficiency, low cost and low toxicity. Our goal was to synthesize ZnO NPs by using an extract of pomegranate seeds and investigate the anticorrosion, antimicrobial and antioxidant properties of the synthesized ZnO NPs. The results have shown that the use of pomegranate in the green synthesis of ZnO NPs gave a good yield, with a low cost and non-toxic approach. The electrophoretic deposition (EPD) was used to coat stainless steel (S.S) by synthesized ZnO NPs in an alcoholic solution at room temperature producing a good coating against corrosion. The corrosion properties were investigated in a saline solution and a temperature range of (293–32

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