The prostaglandins inside inflamed tissues are produced by cyclooxygenase-2 (COX-2), making it an important target for improving anti-inflammatory medications over a long period. Adverse effects have been related to the traditional usage of non-steroidal anti-inflammatory drugs (NSAIDs) for the treatment of inflammation, mainly centered around gastrointestinal (GI) complications. The current research involves the creation of a virtual library of innovative molecules showing similar drug properties via a structure-based drug design. A library that includes five novel derivatives of Diclofenac was designed. Subsequently, molecular docking through the Glide module and determining the binding free energy implementing the Prime-MMGBSA module by the Schrödinger software package was used to identify compounds that showed marked specificity towards the COX-2 isoform. In addition, the ligands are subject to evaluation of their drug-like properties and ADMET (absorption, distribution, metabolism, excretion, and toxicity) characteristics using the QikProp module. Finally, molecular dynamics simulation has been calculated for the best molecule. The docking results indicated that all compounds own a predictive capability for specific binding to the COX-2 enzyme compared to the standard drug with a docking score range from -10.07 to -10.66 Kcal/mole, thus potentially overcoming the limitations imposed previously by the drugs currently used in clinical use. The ADMET analysis of the virtually active compounds demonstrated an acceptable drug-like profile and desirable pharmacokinetics properties. MM/GBSA calculation revealed that all the suggested compounds exhibited favorable free binding energies (-49.150 to - 60.185 Kcal/mole), indicating their strong potential to fit well into the COX-2 receptor. Finally, the MD simulation study revealed that compound 1 had perfect alignment with COX-2 receptor. The findings indicated that the compounds possess a predictive capability for specific binding to the COX-2 enzyme, thus potentially surmounting the restrictions imposed by the drugs currently employed in clinical use.
One of the most frightening to children ages pre-school entry , Are those concerns about natural phenomena such as (The darkness, the sound of thunder, lightning and light, and rainfall, and storms) These natural phenomena are not familiar to the child , It may have a surprise when he/ she sees , And others intimidated , The affects of panic and fears that may lead him some psychological injury symptoms.
The fear of the dark, of the most common concerns associated with the child in his daily life , As the children's fear of the dark is reasonably fear that makes him a natural to live in the unknown , We can not identify what around him and is afraid of something collision, Or injury from somet
... Show MoreAl Machraya River was considered as one of the water feeders of Hawizeh Marsh. In 1986, the outlet of this river into the marsh was blocked and the river was used as a main channel for the East Tigris Irrigation Project near Kalat Salih. This causes significant decrease in the available water supply sources, deterioration in the water quality distribution patterns and increasing the stagnation areas within the marsh. This research aims to study the possibility of reusing this river for feeding Hawizeh Marsh. A frequency analysis study was carried out to study the maximum and minimum probable water level (MMPWL) of Tigris River at the upstream of Kalat Salih Barrage. Six statistical models; Normal distribution, Log-Normal type II, Lo
... Show MoreBackground: The aim of this study was to evaluate the push-out bond strength of four different obturation materials to intraradicular dentin and to determine the failure mode. Materials and method: forty straight palatal roots of the maxillary first molars teeth were used in this study, the roots were instrumented using crown down technique and rotary EndoSequence system, the roots were randomly divided into four groups according to the materials used for obturation (n=10).Group (1): AH Plus sealer and gutta-percha. Group (2): Activ GP glass ionomer sealer and Activ GP gutta-percha (Activ GP system). Group (3): Bioceramic sealer and Bioceramic gutta-percha. Group (4): GuttaFlow2 sealer and gutta-percha. For all groups single cone obturatio
... Show MoreBackground: Urinary incontinence (UI) is a common disorder that affects women of various ages and impacts all aspects of life. This condition negatively influences quality of life. Fractional CO2 laser (10600nm) is the recent method for treatment of stress urinary incontinence in women. Objectives: The purpose of the study was to evaluate the efficacy and safety of fractional CO2 laser (10600nm) in the treatment of female stress urinary incontinence. Materials & Methods: This study was done from July 2020 to February 2021conducted at the laser institute for postgraduate studies university of Baghdad, patients collected from a private clinic and the Department of
... Show MoreAbstract We have been studied and analysis the electronic current at the interfaces of Au/PTCDA system according to simple quantum mode for the electronics transition rate due to postulate quantum theory. Calculation of electronic current were performed at interface of Au/PTCDA as well as for investigation the feature of electronic density at this devices. The transition of electronic current study under assume the electronic state of Au and PTCDA were continuum and the states of electrons must be closed to energy level for Au at Fermi state, and the potential at interface feature depended on structure of Au and PTCDA material. The electronic transition current feature was dependent on the driving force energy that results of absorption ene
... Show MoreThis research aims at investigating pupils’ ability in using discourse markers which are identified in the English textbooks of secondary schools. Four texts are chosen from third intermediate class. The four texts are short stories of different topics.
This research hypothesizes that there are no statistical significant differences among Iraqi intermediate pupils’ ability in using textual
... Show MoreThe study attempts to identify 1) the habits of playing video games among students, 2) the effect of playing video games on students’ academic achievement, 3) the statistically significant differences among students in regard of (gender, time of playing video games, number of hours). To this end, a five-likert scale questionnaire included four questions was applied to (250) male and female students chosen randomly from the second-intermediate stage at Al-Karakh side secondary schools. The findings revealed that students play games only on holidays and less than an hour daily, which means playing games does not affect their academic achievement. Additionally, the findings found there is a significant difference between male and female i
... Show MoreThe growing population and the rising standard of living in cities as well as the increased commercial, industrial and agricultural activities around the world led to
massive production of waste containing different materials and one of them is the municipal solid waste (MSW), so there is a major problem facing the cities around the world about the waste, how to collect, transfer it and how to discard it. Because the accumulation of wastes, whether in the city alleys or in its squares and especially in its residential areas affect the health of their populations besides this situation will be a major indication of the deteriorating quality of life in the city, as hygiene considered a fundamental criterion for the city beauty as well
De-waxing of lubricating oil distillate (400-500 ºC) by using urea was investigated in the present study. Lubricating oil distillate produced by vacuum distillation and refined by furfural extraction was taken from Al-Daura refinery. This oil distillate has a pour point of 34 ºC. Two solvents were used to dilute the oil distillate, these are methyl isobutyl ketone and methylene chloride. The operating conditions of the urea adduct formation with n-paraffins in the presence of methyl isobutyl ketone were studied in details, these are solvent to oil volume ratio within the range of 0 to 2, mixer speed 0 to 2000 rpm, urea to wax weight ratio 0 to 6.3, time of adduction 0 to 71 min and temperature 30-70 ºC). Pour point of de-waxed oil and yi
... Show MoreIn this study, ceramic purifier (CP) was produced from a mixture of Iraqi raw materials. This ceramic mixture was prepared using Bentonite as a Clay, Porcelanite as a Silica, and Limestone as a flux. The produced ceramic filter was formed by semi-dry compressing method and was fired at 1200 C?. Physical properties of the produced CP were measured. A hydraulic test rig was constructed to study the hydraulic conductivity of the produced CP. The average hydraulic conductivity of the produced CP was 55 times that of commercial types of ceramic filters. The mineral composition of the produced ceramics was found by X-Ray tests. Tests results showed that all of the produced ceramics filters composed mainly of low Cristobalte and Tridoymite in addi
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