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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
Tue Mar 15 2022
Journal Name
Al-academy
Forecasting in international logos' design styles
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Forecasting has become common process and reality. Since man has found multiple forms of simple predictive predictions, fruitful predictive results have emerged, such as weather forecasting or trading on stock exchange. The research was organized by defining the problem, which was manifested by the question:
(What is the prediction in global logo design methods?)
The aim of the research: (revealing design prediction in the methods of global logos). The theoretical framework was: (the concept of prediction in the design of global logos), (methods of global logos), (types of prediction) and then were attached to indicators, results and conclusions, including:
- The color value of international logos came with human needs: a

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Publication Date
Fri Mar 30 2007
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Computer Aided Design for Spray Driers
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The aim of this work is to develop an axi-symmetric two dimensional model based on a coupled simplified computational fluid dynamics (CFD) and Lagrangian method to predict the air flow patterns and drying of particles.  Then using this predictive tool to design more efficient spray dryers. The approach to this is to model what particles experience in the drying chamber with respect to air temperature and humidity. These histories can be obtained by combining the particles trajectories with the air temperature/humidity pattern in the spray dryer. Results are presented and discussed in terms of the air velocity, temperature, and humidity profiles within the chambers and compared for drying of a 42.5% solids solution in a spray chamber

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Publication Date
Mon Sep 11 2017
Journal Name
Journal Of Molecular Cell Biology
Sustained activation of P2X7 induces MMP-2-evoked cleavage and functional purinoceptor inhibition
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Publication Date
Mon Mar 22 2010
Journal Name
Al- Mustansiriya J. Sci
Synthesis of New Amides and Schiff Bases derived From 2-Amino-1,3,4- Oxadiazole
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New compounds of amids [IV]a-e and Schiff bases [V]f-h derived from 2-amino-1,3,4-oxadiazoles [III] were synthesized and characterized by physical and spectraldata.2-Aamino-1,3,4-oxadiazoles was prepared by the action of bromine on acorresponding semicarbazide [II]( which was prepared by reaction of dialdehyde [I]with semicarbazide hydrochloride ) in the presence of sodium acetate , followed byan intramolecular cyclization . (PDF) Synthesis of New Amides and Schiff Bases derived From 2-Amino -1,3,4- Oxadiazole. Available from: https://www.researchgate.net/publication/326679206_Synthesis_of_New_Amides_and_Schiff_Bases_derived_From_2-Amino_-134-_Oxadiazole [accessed Nov 15 2023].

Publication Date
Mon May 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Determination of Adenosine Deaminase Activity in type 1 and type 2 Diabetes Mellitus
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         Serum adenosine deaminase (ADA) activity was determined in 30 blood sample of type 1 diabetic individuals 30 blood sample for the type 2 and 15 normal children as a control for type 1 15 normal adults as control for type 2. The mean ADA activity and specific activity in type 1 was (8.85± 5.55 U/mg of protein) which is compared with control (32.11± 1.54 U/mg of protein) while in type 2 was (48.46±11.91 U/mg of protein) is compared with control (5.18± 2.27 U/mg of protein ). We conclude that the altered blood level of ADA activity may help in predicting immunological dysfunction in diabetic individuals and also has a prognostic value.

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Publication Date
Wed May 11 2011
Journal Name
Tikrit Journal Of Pure Science
Isolation and partial purification malatase isoenzymes from urine of type 2 diabetic patients
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This study was performd on 50 urine specimens of patients with type 2 diabetes, in addition, 50 normal specimens were investigated as control group. The activity rate of maltase in patients (6.40±2.17) I.U/ml and activity rate of maltase in normal (0.44±0.20)I.U/ml. The results of the study reveal that maltase activity of type 2 diabetes patient's urine shows significant increase (P<0.01) compare to normal.

Publication Date
Thu May 23 2013
Journal Name
Journal Of The College Of Basic Education
Synthesis and Characterization of Benzoic Acid 2-Salicylidene Complexes with Selected Metal Ions
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Salicylaldehyde was reacting with 2-amino benzoic acid to produce the Schiff base ligand benzoic acid 2-salicylidene (L). The prepared ligand was identified by Microelemental Analysis, FT.IR and UV-Vis spectroscopic techniques. A new complexes of Co(II),Ni(II),Cu(II) and Zn(II) with Schiff base was prepared in aqueous ethanol with a (1:1) M:L. The prepared complexes were characterized using flame atomic absorption, (C.H.N) Analysis, FT.IR and UV-Vis spectroscopic methods as well as magnetic susceptibility and conductivity measurements. Biological activity of the ligand and complexes against three selected types of bacteria were also examined. Some of the complexes exhibit good bacterial activities. From the obtained data the tetrahedral str

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Publication Date
Sun Sep 06 2015
Journal Name
Baghdad Science Journal
The Preparation of some New Mannich and Shiff bases derived from 2-Mercaptobenzimidazole
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The present work involved two steps: the first step include Mannich reaction was carried out on 2- mercaptobenzimidazole using formaldehyde and different secondary amine or amide to gives the compounds(2-16). The secnd step include preparation of (Ethylbenzimidazoly-2-mercaptoacetate)(17) from the reaction of 2- mercaptobenzimidazole with ethylchloroacetate than prepared hydrazide derivative[18]from reaction of compound(17) with hydrazinehydrate. Followed Preparation of shiff bases(19-24) and there reaction with mercaptoacetic acid to give a new compounds containing thiazolidinderivetives(25-30).Structure confirmation of all prepared compound were proved using FTIR and element analysis (C.H.N.S) and mesurmentedmelting poi

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Molecular study of the relationship of gene expression of some genes with the temperature variation of bacterial growth
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Pseudomonas aeruginosa is an opportunistic pathogen responsible for serious infections. At least three different exopolysaccharides, alginate, polysaccharide synthesis locus (Psl), and pellicle exopolysaccharide (Pel) make up the biofilm matrix in P. aeruginosa . The effect of temperature on the biofilm formation and gene expression was examined by microtiter plate and real-time quantitative polymerase chain reaction (qRT-PCR). To be able to determine the effect of temperature on biofilm formation and gene expression of P. aeruginosa, 303 clinical and environmental samples were collected. Pseudomonas aeruginosa was isolated from 61 (20.1%) and 48 (15.8%) of the clinical and e

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Publication Date
Mon Aug 07 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Inhibitory Effect of Some Benzoic Acid Derivatives on Human Erythrocyte Catalase Activity
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 In order to study the kinetic of human erythrocytes catalase a well –known enzyme uses H2O2 as substrate as well as hydrogen acceptors, in non smokers and smoker individuals. Anthranilic acid and p-Amino Benzoic Acid (PABA) were used to study their effect on the enzyme. The kinetic study confirmed that anthranilic is a non-competitive inhibitor with Km values of 0.95 and 1.0 for non smokers and smokers respectively (PABA) was found to be a competitive  inhibitor with Vmax  values of 8.0 and 8.9 for nonsmoker and smoker respectively  

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