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Laalej</title> <meta name="description" content="Search results for: Hatim Laalej"> <meta name="keywords" content="Hatim Laalej"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research Excellence" /> </a> <button class="d-block d-lg-none navbar-toggler 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id="custom-search-input"> <div class="input-group"> <i class="fas fa-search"></i> <input type="text" class="search-query" name="q" placeholder="Author, Title, Abstract, Keywords" value="Hatim Laalej"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 11</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: Hatim Laalej</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">11</span> Intelligent Tooling Embedded Sensors for Monitoring the Wear of Cutting Tools in Turning Applications</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Laalej">Hatim Laalej</a>, <a href="https://publications.waset.org/abstracts/search?q=Jon%20Stammers"> Jon Stammers</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In machining, monitoring of tool wear is essential for achieving the desired dimensional accuracy and surface finish of a machined workpiece. Currently, the task of monitoring the wear on the cutting tool is carried out by the operator who performs manual inspections of the cutting tool, causing undesirable stoppages of machine tools and consequently resulting in costs incurred from loss of productivity. The cutting tool consumable costs may also be higher than necessary when tools are changed before the end of their useful life. Furthermore, damage can be caused to the workpiece when tools are not changed soon enough leading to a significant increase in the costs of manufacturing. The present study is concerned with the development of break sensor printed on the flank surface of poly-crystalline diamond (PCD) cutting to perform on-line condition monitoring of the cutting tool used to machine Titanium Ti-6al-4v bar. The results clearly show that there is a strong correlation between the break sensor measurements and the amount of wear in the cutting tool. These findings are significant in that they help the user/operator of the machine tool to determine the condition of the cutting tool without the need of performing manual inspection, thereby reducing the manufacturing costs such as the machine down time. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=machining" title="machining">machining</a>, <a href="https://publications.waset.org/abstracts/search?q=manufacturing" title=" manufacturing"> manufacturing</a>, <a href="https://publications.waset.org/abstracts/search?q=tool%20wear" title=" tool wear"> tool wear</a>, <a href="https://publications.waset.org/abstracts/search?q=signal%20processing" title=" signal processing"> signal processing</a> </p> <a href="https://publications.waset.org/abstracts/77528/intelligent-tooling-embedded-sensors-for-monitoring-the-wear-of-cutting-tools-in-turning-applications" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/77528.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">245</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">10</span> A Flute Tracking System for Monitoring the Wear of Cutting Tools in Milling Operations</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Laalej">Hatim Laalej</a>, <a href="https://publications.waset.org/abstracts/search?q=Salvador%20Sumohano-Verdeja"> Salvador Sumohano-Verdeja</a>, <a href="https://publications.waset.org/abstracts/search?q=Thomas%20McLeay"> Thomas McLeay</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Monitoring of tool wear in milling operations is essential for achieving the desired dimensional accuracy and surface finish of a machined workpiece. Although there are numerous statistical models and artificial intelligence techniques available for monitoring the wear of cutting tools, these techniques cannot pin point which cutting edge of the tool, or which insert in the case of indexable tooling, is worn or broken. Currently, the task of monitoring the wear on the tool cutting edges is carried out by the operator who performs a manual inspection, causing undesirable stoppages of machine tools and consequently resulting in costs incurred from lost productivity. The present study is concerned with the development of a flute tracking system to segment signals related to each physical flute of a cutter with three flutes used in an end milling operation. The purpose of the system is to monitor the cutting condition for individual flutes separately in order to determine their progressive wear rates and to predict imminent tool failure. The results of this study clearly show that signals associated with each flute can be effectively segmented using the proposed flute tracking system. Furthermore, the results illustrate that by segmenting the sensor signal by flutes it is possible to investigate the wear in each physical cutting edge of the cutting tool. These findings are significant in that they facilitate the online condition monitoring of a cutting tool for each specific flute without the need for operators/engineers to perform manual inspections of the tool. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=machining" title="machining">machining</a>, <a href="https://publications.waset.org/abstracts/search?q=milling%20operation" title=" milling operation"> milling operation</a>, <a href="https://publications.waset.org/abstracts/search?q=tool%20condition%20monitoring" title=" tool condition monitoring"> tool condition monitoring</a>, <a href="https://publications.waset.org/abstracts/search?q=tool%20wear%20prediction" title=" tool wear prediction"> tool wear prediction</a> </p> <a href="https://publications.waset.org/abstracts/51178/a-flute-tracking-system-for-monitoring-the-wear-of-cutting-tools-in-milling-operations" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/51178.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">303</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">9</span> Evaluation of Three Potato Cultivars for Processing (Crisp French Fries)</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Bastawi">Hatim Bastawi</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Three varieties of potatoes, namely Agria, Alpha and Diamant were evaluated for their suitability for industrial production of French fries. The evaluation was under taken after testing quality parameters of specific gravity, dry matter, peeling ratio, and defect after frying and panel test. The variety Agria ranked the best followed by Alpha with regard to the parameters tested. On the other hand, Diamant showed significantly higher defect percentage than the other cultivars. Also, it was significantly judged of low acceptance by panelists. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=cultivars" title="cultivars">cultivars</a>, <a href="https://publications.waset.org/abstracts/search?q=crisps" title=" crisps"> crisps</a>, <a href="https://publications.waset.org/abstracts/search?q=French%20fries" title=" French fries"> French fries</a> </p> <a href="https://publications.waset.org/abstracts/40023/evaluation-of-three-potato-cultivars-for-processing-crisp-french-fries" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/40023.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">261</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">8</span> Electrocardiogram Signal Denoising Using a Hybrid Technique</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=R.%20Latif">R. Latif</a>, <a href="https://publications.waset.org/abstracts/search?q=W.%20Jenkal"> W. Jenkal</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Toumanari"> A. Toumanari</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Hatim"> A. Hatim</a> </p> <p class="card-text"><strong>Abstract:</strong></p> This paper presents an efficient method of electrocardiogram signal denoising based on a hybrid approach. Two techniques are brought together to create an efficient denoising process. The first is an Adaptive Dual Threshold Filter (ADTF) and the second is the Discrete Wavelet Transform (DWT). The presented approach is based on three steps of denoising, the DWT decomposition, the ADTF step and the highest peaks correction step. This paper presents some application of the approach on some electrocardiogram signals of the MIT-BIH database. The results of these applications are promising compared to other recently published techniques. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=hybrid%20technique" title="hybrid technique">hybrid technique</a>, <a href="https://publications.waset.org/abstracts/search?q=ADTF" title=" ADTF"> ADTF</a>, <a href="https://publications.waset.org/abstracts/search?q=DWT" title=" DWT"> DWT</a>, <a href="https://publications.waset.org/abstracts/search?q=thresholding" title=" thresholding"> thresholding</a>, <a href="https://publications.waset.org/abstracts/search?q=ECG%20signal" title=" ECG signal"> ECG signal</a> </p> <a href="https://publications.waset.org/abstracts/65458/electrocardiogram-signal-denoising-using-a-hybrid-technique" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/65458.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">322</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">7</span> Application of a Hybrid Modified Blade Element Momentum Theory/Computational Fluid Dynamics Approach for Wine Turbine Aerodynamic Performances Prediction</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Samah%20Laalej">Samah Laalej</a>, <a href="https://publications.waset.org/abstracts/search?q=Abdelfattah%20Bouatem"> Abdelfattah Bouatem</a> </p> <p class="card-text"><strong>Abstract:</strong></p> In the field of wind turbine blades, it is complicated to evaluate the aerodynamic performances through experimental measurements as it requires a lot of computing time and resources. Therefore, in this paper, a hybrid BEM-CFD numerical technique is developed to predict power and aerodynamic forces acting on the blades. Computational fluid dynamics (CFD) simulation was conducted to calculate the drag and lift forces through Ansys software using the K-w model. Then an enhanced BEM code was created to predict the power outputs generated by the wind turbine using the aerodynamic properties extracted from the CFD approach. The numerical approach was compared and validated with experimental data. The power curves calculated from this hybrid method were in good agreement with experimental measurements for all velocity ranges. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=blade%20element%20momentum" title="blade element momentum">blade element momentum</a>, <a href="https://publications.waset.org/abstracts/search?q=aerodynamic%20forces" title=" aerodynamic forces"> aerodynamic forces</a>, <a href="https://publications.waset.org/abstracts/search?q=wind%20turbine%20blades" title=" wind turbine blades"> wind turbine blades</a>, <a href="https://publications.waset.org/abstracts/search?q=computational%20fluid%20dynamics%20approach" title=" computational fluid dynamics approach"> computational fluid dynamics approach</a> </p> <a href="https://publications.waset.org/abstracts/183094/application-of-a-hybrid-modified-blade-element-momentum-theorycomputational-fluid-dynamics-approach-for-wine-turbine-aerodynamic-performances-prediction" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/183094.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">64</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">6</span> Investigating the Relationship between Bank and Cloud Provider</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Elhag">Hatim Elhag</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Banking and Financial Service Institutions are possibly the most advanced in terms of technology adoption and use it as a key differentiator. With high levels of business process automation, maturity in the functional portfolio, straight through processing and proven technology outsourcing benefits, Banking sector stand to benefit significantly from Cloud computing capabilities. Additionally, with complex Compliance and Regulatory policies, combined with expansive products and geography coverage, the business impact is even greater. While the benefits are exponential, there are also significant challenges in adopting this model– including Legal, Security, Performance, Reliability, Transformation complexity, Operating control and Governance and most importantly proof for the promised cost benefits. However, new architecture designed should be implemented to align this approach. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=security" title="security">security</a>, <a href="https://publications.waset.org/abstracts/search?q=cloud" title=" cloud"> cloud</a>, <a href="https://publications.waset.org/abstracts/search?q=banking%20sector" title=" banking sector"> banking sector</a>, <a href="https://publications.waset.org/abstracts/search?q=cloud%20computing" title=" cloud computing"> cloud computing</a> </p> <a href="https://publications.waset.org/abstracts/22915/investigating-the-relationship-between-bank-and-cloud-provider" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/22915.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">499</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">5</span> Applying the Fuzzy Analytic Network Process to Establish the Relative Importance of Knowledge Sharing Barriers</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Van%20Dong%20Phung">Van Dong Phung</a>, <a href="https://publications.waset.org/abstracts/search?q=Igor%20Hawryszkiewycz"> Igor Hawryszkiewycz</a>, <a href="https://publications.waset.org/abstracts/search?q=Kyeong%20Kang"> Kyeong Kang</a>, <a href="https://publications.waset.org/abstracts/search?q=Muhammad%20Hatim%20Binsawad"> Muhammad Hatim Binsawad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Knowledge sharing (KS) is the key to creativity and innovation in any organizations. Overcoming the KS barriers has created new challenges for designing in dynamic and complex environment. There may be interrelations and interdependences among the barriers. The purpose of this paper is to present a review of literature of KS barriers and impute the relative importance of them through the fuzzy analytic network process that is a generalization of the analytical hierarchy process (AHP). It helps to prioritize the barriers to find ways to remove them to facilitate KS. The study begins with a brief description of KS barriers and the most critical ones. The FANP and its role in identifying the relative importance of KS barriers are explained. The paper, then, proposes the model for research and expected outcomes. The study suggests that the use of the FANP is appropriate to impute the relative importance of KS barriers which are intertwined and interdependent. Implications and future research are also proposed. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=FANP" title="FANP">FANP</a>, <a href="https://publications.waset.org/abstracts/search?q=ANP" title=" ANP"> ANP</a>, <a href="https://publications.waset.org/abstracts/search?q=knowledge%20sharing%20barriers" title=" knowledge sharing barriers"> knowledge sharing barriers</a>, <a href="https://publications.waset.org/abstracts/search?q=knowledge%20sharing" title=" knowledge sharing"> knowledge sharing</a>, <a href="https://publications.waset.org/abstracts/search?q=removing%20barriers" title=" removing barriers"> removing barriers</a>, <a href="https://publications.waset.org/abstracts/search?q=knowledge%20management" title=" knowledge management"> knowledge management</a> </p> <a href="https://publications.waset.org/abstracts/56675/applying-the-fuzzy-analytic-network-process-to-establish-the-relative-importance-of-knowledge-sharing-barriers" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/56675.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">333</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">4</span> Estimating Soil Erosion Using Universal Soil Loss Equation and Gis in Algash Basin</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Issamaldin%20Mohammed">Issamaldin Mohammed</a>, <a href="https://publications.waset.org/abstracts/search?q=Ahmed%20Abdalla"> Ahmed Abdalla</a>, <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Elobied"> Hatim Elobied</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Soil erosion is globally known for adverse effects on social, environmental and economical aspects which directly or indirectly influence the human life. The area under study suffers from problems like water quality, river and agricultural canals bed rise due to high sediment load brought by Algash River from upstream (Eritrea high land), the current study utilized from remote sensing and Geographical Information System (GIS) to estimate the annual soil loss using Universal Soil Loss Equation (USLE). The USLE is widely used over the world which basically relies on rainfall erosivity factor (R), soil erodibility factor (K), topographic factor (LS), cover management factor (C) and support practice factor (P). The result of the study showed high soil loss in the study area, this result was illustrated in a form of map presenting the spatial distribution of soil loss amounts which classified into seven zones ranging from very slight zone (less than 2 ton/ha.year) to very severe (100-500 ton/ha.year), also the total soil loss from the whole study area was found to be 32,916,840.87 ton/ha.year. These kinds of results will help the experts of land management to give a priority for the severely affected zones to be tackled in an appropriate way. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=Geographical%20Information%20System" title="Geographical Information System">Geographical Information System</a>, <a href="https://publications.waset.org/abstracts/search?q=remote%20sensing" title=" remote sensing"> remote sensing</a>, <a href="https://publications.waset.org/abstracts/search?q=sedimentation" title=" sedimentation"> sedimentation</a>, <a href="https://publications.waset.org/abstracts/search?q=soil%20loss" title=" soil loss"> soil loss</a> </p> <a href="https://publications.waset.org/abstracts/54661/estimating-soil-erosion-using-universal-soil-loss-equation-and-gis-in-algash-basin" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/54661.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">288</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3</span> Towards Designing of a Potential New HIV-1 Protease Inhibitor Using Quantitative Structure-Activity Relationship Study in Combination with Molecular Docking and Molecular Dynamics Simulations</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mouna%20Baassi">Mouna Baassi</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Moussaoui"> Mohamed Moussaoui</a>, <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Soufi"> Hatim Soufi</a>, <a href="https://publications.waset.org/abstracts/search?q=Sanchaita%20RajkhowaI"> Sanchaita RajkhowaI</a>, <a href="https://publications.waset.org/abstracts/search?q=Ashwani%20Sharma"> Ashwani Sharma</a>, <a href="https://publications.waset.org/abstracts/search?q=Subrata%20Sinha"> Subrata Sinha</a>, <a href="https://publications.waset.org/abstracts/search?q=Said%20Belaaouad"> Said Belaaouad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> Human Immunodeficiency Virus type 1 protease (HIV-1 PR) is one of the most challenging targets of antiretroviral therapy used in the treatment of AIDS-infected people. The performance of protease inhibitors (PIs) is limited by the development of protease mutations that can promote resistance to the treatment. The current study was carried out using statistics and bioinformatics tools. A series of thirty-three compounds with known enzymatic inhibitory activities against HIV-1 protease was used in this paper to build a mathematical model relating the structure to the biological activity. These compounds were designed by software; their descriptors were computed using various tools, such as Gaussian, Chem3D, ChemSketch and MarvinSketch. Computational methods generated the best model based on its statistical parameters. The model’s applicability domain (AD) was elaborated. Furthermore, one compound has been proposed as efficient against HIV-1 protease with comparable biological activity to the existing ones; this drug candidate was evaluated using ADMET properties and Lipinski’s rule. Molecular Docking performed on Wild Type and Mutant Type HIV-1 proteases allowed the investigation of the interaction types displayed between the proteases and the ligands, Darunavir (DRV) and the new drug (ND). Molecular dynamics simulation was also used in order to investigate the complexes’ stability, allowing a comparative study of the performance of both ligands (DRV & ND). Our study suggested that the new molecule showed comparable results to that of Darunavir and may be used for further experimental studies. Our study may also be used as a pipeline to search and design new potential inhibitors of HIV-1 proteases. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=QSAR" title="QSAR">QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=ADMET%20properties" title=" ADMET properties"> ADMET properties</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dynamics%20simulation." title=" molecular dynamics simulation."> molecular dynamics simulation.</a> </p> <a href="https://publications.waset.org/abstracts/187453/towards-designing-of-a-potential-new-hiv-1-protease-inhibitor-using-quantitative-structure-activity-relationship-study-in-combination-with-molecular-docking-and-molecular-dynamics-simulations" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/187453.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">38</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2</span> Exploring the Design of Prospective Human Immunodeficiency Virus Type 1 Reverse Transcriptase Inhibitors through a Comprehensive Approach of Quantitative Structure Activity Relationship Study, Molecular Docking, and Molecular Dynamics Simulations</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mouna%20Baassi">Mouna Baassi</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Moussaoui"> Mohamed Moussaoui</a>, <a href="https://publications.waset.org/abstracts/search?q=Sanchaita%20Rajkhowa"> Sanchaita Rajkhowa</a>, <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Soufi"> Hatim Soufi</a>, <a href="https://publications.waset.org/abstracts/search?q=Said%20Belaaouad"> Said Belaaouad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The objective of this paper is to address the challenging task of targeting Human Immunodeficiency Virus type 1 Reverse Transcriptase (HIV-1 RT) in the treatment of AIDS. Reverse Transcriptase inhibitors (RTIs) have limitations due to the development of Reverse Transcriptase mutations that lead to treatment resistance. In this study, a combination of statistical analysis and bioinformatics tools was adopted to develop a mathematical model that relates the structure of compounds to their inhibitory activities against HIV-1 Reverse Transcriptase. Our approach was based on a series of compounds recognized for their HIV-1 RT enzymatic inhibitory activities. These compounds were designed via software, with their descriptors computed using multiple tools. The most statistically promising model was chosen, and its domain of application was ascertained. Furthermore, compounds exhibiting comparable biological activity to existing drugs were identified as potential inhibitors of HIV-1 RT. The compounds underwent evaluation based on their chemical absorption, distribution, metabolism, excretion, toxicity properties, and adherence to Lipinski's rule. Molecular docking techniques were employed to examine the interaction between the Reverse Transcriptase (Wild Type and Mutant Type) and the ligands, including a known drug available in the market. Molecular dynamics simulations were also conducted to assess the stability of the RT-ligand complexes. Our results reveal some of the new compounds as promising candidates for effectively inhibiting HIV-1 Reverse Transcriptase, matching the potency of the established drug. This necessitates further experimental validation. This study, beyond its immediate results, provides a methodological foundation for future endeavors aiming to discover and design new inhibitors targeting HIV-1 Reverse Transcriptase. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=QSAR" title="QSAR">QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=ADMET%20properties" title=" ADMET properties"> ADMET properties</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dynamics%20simulation" title=" molecular dynamics simulation"> molecular dynamics simulation</a>, <a href="https://publications.waset.org/abstracts/search?q=reverse%20transcriptase%20inhibitors" title=" reverse transcriptase inhibitors"> reverse transcriptase inhibitors</a>, <a href="https://publications.waset.org/abstracts/search?q=HIV%20type%201" title=" HIV type 1"> HIV type 1</a> </p> <a href="https://publications.waset.org/abstracts/167691/exploring-the-design-of-prospective-human-immunodeficiency-virus-type-1-reverse-transcriptase-inhibitors-through-a-comprehensive-approach-of-quantitative-structure-activity-relationship-study-molecular-docking-and-molecular-dynamics-simulations" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/167691.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">92</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">1</span> Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=Mohamed%20Moussaoui">Mohamed Moussaoui</a>, <a href="https://publications.waset.org/abstracts/search?q=Mouna%20Baassi"> Mouna Baassi</a>, <a href="https://publications.waset.org/abstracts/search?q=Soukayna%20Baammi"> Soukayna Baammi</a>, <a href="https://publications.waset.org/abstracts/search?q=Hatim%20Soufi"> Hatim Soufi</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Salah"> Mohammed Salah</a>, <a href="https://publications.waset.org/abstracts/search?q=Rachid%20Daoud"> Rachid Daoud</a>, <a href="https://publications.waset.org/abstracts/search?q=Achraf%20EL%20Allali"> Achraf EL Allali</a>, <a href="https://publications.waset.org/abstracts/search?q=Mohammed%20Elalaoui%20Belghiti"> Mohammed Elalaoui Belghiti</a>, <a href="https://publications.waset.org/abstracts/search?q=Said%20Belaaouad"> Said Belaaouad</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=QSAR" title="QSAR">QSAR</a>, <a href="https://publications.waset.org/abstracts/search?q=ADMET" title=" ADMET"> ADMET</a>, <a href="https://publications.waset.org/abstracts/search?q=Thiazole" title=" Thiazole"> Thiazole</a>, <a href="https://publications.waset.org/abstracts/search?q=anticancer" title=" anticancer"> anticancer</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20docking" title=" molecular docking"> molecular docking</a>, <a href="https://publications.waset.org/abstracts/search?q=molecular%20dynamic%20simulations" title=" molecular dynamic simulations"> molecular dynamic simulations</a>, <a href="https://publications.waset.org/abstracts/search?q=MMPBSA%20calculation" title=" MMPBSA calculation"> MMPBSA calculation</a> </p> <a href="https://publications.waset.org/abstracts/167390/computational-approach-to-cyclin-dependent-kinase-2-inhibitors-design-and-analysis-merging-quantitative-structure-activity-relationship-absorption-distribution-metabolism-excretion-and-toxicity-molecular-docking-and-molecular-dynamics-simulations" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/167390.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">107</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div class="container"> <div style="background-color:#f5f5f5;" class="p-3"> <div class="row"> <div class="col-md-2"> <ul class="list-unstyled"> About <li><a href="https://waset.org/page/support">About Us</a></li> <li><a href="https://waset.org/page/support#legal-information">Legal</a></li> <li><a target="_blank" rel="nofollow" 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