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Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches

Journal of Pharmaceutical Analysis 2020年第6期10卷 546-559页

作者： mubarak a.alamri Muhammad Tahir ul Qamar Muhammad Usman Mirza Safar M.Alqahtani Matheus Froeyen Ling-Ling Chen Department of Pharmaceutical Chemistry College of PharmacyPrince Sattam Bin Abdulaziz UniversityAlkarjSaudi Arabia College of Life Science and Technology Guangxi UniversityNanningChina Department of Pharmaceutical and Pharmacological Sciences Rega Institute for Medical ResearchMedicinal ChemistryUniversity of LeuvenB-3000LeuvenBelgium Hubei Key Laboratory of Agricultural Bioinformatics College of InformaticsHuazhong Agricultural UniversityWuhan430070China

The papain-like protease(PLpro)is vital for the replication of coronaviruses(Co Vs),as well as for escaping innate-immune responses of the ***,it has emerged as an attractive antiviral *** this study,computational approaches were employed,mainly the structure-based virtual screening coupled with all-atom molecular dynamics(MD)simulations to computationally identify specific inhibitors of severe acute respiratory syndrome coronavirus 2(SARS-Co V-2)PLpro,which can be further developed as potential pan-PLprobased broad-spectrum antiviral *** sequence,structure,and functional conserveness of most deadly human Co Vs PLprowere explored,and it was revealed that functionally important catalytic triad residues are well conserved among SARS-Co V,SARS-Co V-2,and middle east respiratory syndrome coronavirus(MERS-Co V).The subsequent screening of a focused protease inhibitors database composed of^7,000 compounds resulted in the identification of three candidate compounds,ADM13083841,LMG15521745,and *** three compounds established conserved interactions which were further explored through MD simulations,free energy calculations,and residual energy contribution estimated by MM-PB(GB)SA *** these compounds showed stable conformation and interacted well with the active residues of SARS-Co V-2 PLpro,and showed consistent interaction profile with SARS-Co V PLproand MERS-Co V PLproas ***,the reported SARS-Co V-2 PLprospecific compounds could serve as seeds for developing potent pan-PLprobased broad-spectrum antiviral drugs against deadly human ***,the presented information related to binding site residual energy contribution could lead to further optimization of these compounds.

关键词： COVID-19 MERS-CoV Molecular dynamic simulation Pan-inhibitors Papain-like protease SARS-CoV SARS-CoV-2 Virtual screening

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Structural basis of SARS-CoV-2 3CL^pro and anti-COVID-19 drug discovery from medicinal plants

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Journal of Pharmaceutical Analysis 2020年第4期10卷 313-319页

作者： Muhammad Tahir ul Qamar Safar MAlqahtani mubarak Aalamri Ling-Ling Chen College of Life Science and Technology Guangxi UniversityNanning530004PR China Hubei Key Laboratory of Agricultural Bioinformatics College of InformaticsHuazhong Agricultural UniversityWuhan430070PR China Department of Pharmaceutical Chemistry College of PharmacyPrince Sattam Bin Abdulaziz University11323AlkarjSaudi Arabia

The recent pandemic of coronavirus disease 2019(COVID-19)caused by SARS-CoV-2 has raised global health *** viral 3-chymotrypsin-like cysteine protease(3CL^pro)enzyme controls coronavirus replication and is essential for its life cycle.3CL^pro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus(SARS-CoV)and Middle East respiratory syndrome coronavirus(MERS-CoV).Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of ***,herein,we analysed the 3CL^pro sequence,constructed its 3D homology model,and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal *** analyses revealed that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19.

关键词： Coronavirus SARS-CoV-2 COVID-19 Natural products Protein homology modelling Molecular docking Molecular dynamics simulation

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A New Method for Diagnosis of Leukemia Utilizing a Hybrid DL-ML Approach for Binary and Multi-Class Classification on a Limited-Sized Database

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Computer Modeling in Engineering & Sciences 2024年第4期139卷 593-631页

作者： Nilkanth Mukund Deshpande Shilpa Gite Biswajeet Pradhan Abdullah alamri Chang-Wook Lee Department of Electronics&Telecommunication LavaleSymbiosis Institute of TechnologySymbiosis International(Deemed University)PuneMaharashtra412115India Electronics&Telecommunication Dr.Vithalrao Vikhe Patil College of EngineeringAhmednagarMaharashtra414111India Artificial Intelligence and Machine Learning Department Symbiosis Institute of TechnologySymbiosis International(Deemed)UniversityPune412115India Symbiosis Centre of Applied AI(SCAAI) Symbiosis International(Deemed)UniversityPune412115India Centre for AdvancedModelling and Geospatial Information Systems(CAMGIS) School of Civil and Environmental EngineeringFaculty of Engineering&ITUniversity of Technology SydneySydneyAustralia Earth Observation Centre Institute of Climate ChangeUniversiti Kebangsaan MalaysiaBangiSelangor43600Malaysia Department of Geology&Geophysics College of ScienceKing Saud UniversityP.O.Box 2455Riyadh11451Saudi Arabia Department of Science Education Kangwon National UniversityChuncheon-si24341Korea

Infection of leukemia in humans causes many complications in its later *** impairs bone marrow’s ability to produce *** diagnosis of human blood cells is a well-known and well-proven technique for diagnosis in this *** binary classification is employed to distinguish between normal and leukemiainfected *** addition,various subtypes of leukemia require different *** sub-classes must also be detected to obtain an accurate diagnosis of the type of *** entails using multi-class classification to determine the leukemia *** is usually done using a microscopic examination of these blood *** to the requirement of a trained pathologist,the decision process is critical,which leads to the development of an automated software framework for *** utilized state-of-the-art machine learning approaches,such as Support Vector Machine(SVM),Random Forest(RF),Na飗e Bayes,K-Nearest Neighbor(KNN),and others,to provide limited accuracies of *** advanced deep-learning methods are also *** to constrained dataset sizes,these approaches result in over-fitting,reducing their outstanding *** study introduces a deep learning-machine learning combined approach for leukemia *** uses deep transfer learning frameworks to extract and classify features using state-of-the-artmachine learning *** transfer learning frameworks such as VGGNet,Xception,InceptionResV2,Densenet,and ResNet are employed as feature *** extracted features are given to RF and XGBoost classifiers for the binary and multi-class classification of leukemia *** the experimentation,a very popular ALL-IDB dataset is used,approaching a maximum accuracy of 100%.A private real images dataset with three subclasses of leukemia images,including Acute Myloid Leukemia(AML),Chronic Lymphocytic Leukemia(CLL),and Chronic Myloid Leukemia(CML),is also employed to generalize the *** d

关键词： Leukemia diagnosis deep learning machine learning random forest XGBoost

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Migration of varicocele coil leading to ureteral obstruction and hydronephrosis:A case report

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World Journal of Clinical Cases 2024年第16期12卷 2856-2861页

作者： Abdulaziz alamri Department of Surgery College of MedicineKing Khalid UniversityAbhaAlfaraa 61421Saudi Arabia

BACKGROUND Varicocele embolization,a minimally invasive treatment for symptomatic varicoceles,carries a rare risk of complications like ureteral obstruction and *** case report documents such a case to raise awareness of these potential complications and showcase minimally invasive surgical management as a successful *** SUMMARY A 35-year-old male presented with flank pain and hematuria following varicocele *** confirmed left ureteral obstruction and *** ureterolysis successfully removed the embolization coil and repaired the ureter,resolving the patient's ***-up at six months and two years showed sustained *** Minimally invasive surgery offers an effective treatment option for rare complications like ureteral obstruction arising from varicocele embolization.

关键词： Varicocele embolization Ureteral obstruction Hydronephrosis Iatrogenic ureteral injury Laparoscopic ureterolysis Minimally invasive surgery Case report

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Image Fusion Using Wavelet Transformation and XGboost Algorithm

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Computers, Materials & Continua 2024年第4期79卷 801-817页

作者： Shahid Naseem Tariq Mahmood Amjad Rehman Khan Umer Farooq Samra Nawazish Faten S.alamri Tanzila Saba Department of Information Sciences Division of S&TUniversity of EducationLahore54770Pakistan Artificial Intelligence and Data Analytics(AIDA)Lab CCIS Prince Sultan UniversityRiyadh11586Saudi Arabia Faculty of Information Sciences University of EducationVehari CampusVehari61100Pakistan Department of Computer Science University of Engineering and TechnologyTaxila47050Pakistan Department of Mathematical Sciences College of SciencePrincess Nourah Bint Abdulrahman UniversityRiyadh84428Saudi Arabia

Recently,there have been several uses for digital image *** fusion has become a prominent application in the domain of imaging *** create one final image that provesmore informative and helpful compared to the original input images,image fusion merges two or more initial images of the same *** fusion aims to produce,enhance,and transform significant elements of the source images into combined images for the sake of human visual *** fusion is commonly employed for feature extraction in smart robots,clinical imaging,audiovisual camera integration,manufacturing process monitoring,electronic circuit design,advanced device diagnostics,and intelligent assembly line robots,with image quality varying depending on *** research paper presents various methods for merging images in spatial and frequency domains,including a blend of stable and curvelet transformations,everageMax-Min,weighted principal component analysis(PCA),HIS(Hue,Intensity,Saturation),wavelet transform,discrete cosine transform(DCT),dual-tree Complex Wavelet Transform(CWT),and multiple wavelet *** fusion methods integrate data from several source images of an identical target,thereby enhancing information in an extremely efficient *** precisely,in imaging techniques,the depth of field constraint precludes images from focusing on every object,leading to the exclusion of certain *** tackle thess challanges,a very efficient multi-focus wavelet decomposition and recompositionmethod is *** use of these wavelet decomposition and recomposition techniques enables this method to make use of existing optimized wavelet code and filter *** simulated outcomes provide evidence that the suggested approach initially extracts particular characteristics from images in order to accurately reflect the level of clarity portrayed in the original *** study enhances the performance of the eXtreme Gradient Boosting(XGBoos

关键词： Image fusion max-min average CWT XGBoost DCT inclusive innovations spatial and frequency domain

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DNBP-CCA:A Novel Approach to Enhancing Heterogeneous Data Traffic and Reliable Data Transmission for Body Area Network

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Computers, Materials & Continua 2024年第5期79卷 2851-2878页

作者： Abdulwadood Alawadhi Mohd.Hasbullah Omar Abdullah Almogahed Noradila Nordin Salman A.Alqahtani Atif M.alamri InterNetWorks Research Laboratory School of ComputingUniversiti Utara MalaysiaSintok06010Malaysia Faculty of Computer Science and Information Technology Universiti Tun Hussein Onn MalaysiaParit RajaJohor86400Malaysia School of Games&Creative Technology University for the Creative ArtsFarnhamGU97DSUK Computer Engineering Department College of Computer and Information SciencesKing Saud UniversityRiyadh11543Saudi Arabia Software Engineering Department College of Computer and Information SciencesKing Saud UniversityRiyadh11543Saudi Arabia

The increased adoption of Internet of Medical Things (IoMT) technologies has resulted in the widespread use ofBody Area Networks (BANs) in medical and non-medical domains. However, the performance of IEEE 802.15.4-based BANs is impacted by challenges related to heterogeneous data traffic requirements among nodes, includingcontention during finite backoff periods, association delays, and traffic channel access through clear channelassessment (CCA) algorithms. These challenges lead to increased packet collisions, queuing delays, retransmissions,and the neglect of critical traffic, thereby hindering performance indicators such as throughput, packet deliveryratio, packet drop rate, and packet delay. Therefore, we propose Dynamic Next Backoff Period and Clear ChannelAssessment (DNBP-CCA) schemes to address these issues. The DNBP-CCA schemes leverage a combination ofthe Dynamic Next Backoff Period (DNBP) scheme and the Dynamic Next Clear Channel Assessment (DNCCA)scheme. The DNBP scheme employs a fuzzy Takagi, Sugeno, and Kang (TSK) model’s inference system toquantitatively analyze backoff exponent, channel clearance, collision ratio, and data rate as input parameters. Onthe other hand, the DNCCA scheme dynamically adapts the CCA process based on requested data transmission tothe coordinator, considering input parameters such as buffer status ratio and acknowledgement ratio. As a result,simulations demonstrate that our proposed schemes are better than some existing representative approaches andenhance data transmission, reduce node collisions, improve average throughput, and packet delivery ratio, anddecrease average packet drop rate and packet delay.

关键词： Internet of Medical Things body area networks backoff period tsk fuzzy model clear channel assessment media access control

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A Survey on the Role of Complex Networks in IoT and Brain Communication

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Computers, Materials & Continua 2023年第9期76卷 2573-2595页

作者： Vijey Thayananthan Aiiad Albeshri Hassan a.alamri Muhammad Bilal Qureshi Muhammad Shuaib Qureshi Cybersecurity Department Faculty of ComputingEngineering and ScienceUniversity of SouthWalesWalesUK Department of Computer Science Faculty of Computing and Information Technology(FCIT)King Abdulaziz UniversityJeddah21589Saudi Arabia Computer Science Department Umm Al-Qura UniversityMakkah21955Saudi Arabia Department of Computer Science&IT University of Lakki MarwatLakki Marwat28420KPKPakistan Department of Computer Engineering Chungnam National UniversityDaejeon34134Republic of Korea

Complex networks on the Internet of Things(IoT)and brain communication are the main focus of this *** benefits of complex networks may be applicable in the future research directions of 6G,photonic,IoT,brain,etc.,communication *** data traffic,huge capacity,minimal level of dynamic latency,*** some of the future requirements in 5G+and 6G communication *** emerging communication,technologies such as 5G+/6G-based photonic sensor communication and complex networks play an important role in improving future requirements of IoT and brain *** this paper,the state of the complex system considered as a complex network(the connection between the brain cells,neurons,etc.)needs measurement for analyzing the functions of the neurons during brain ***,we measure the state of the complex system through *** 5G+/6G-based photonic sensor nodes,finding observability influenced by the concept of contraction provides the stability of *** IoT or any sensors fail to measure the state of the connectivity in the 5G+or 6G communication due to external noise and attacks,some information about the sensor nodes during the communication will be ***,neurons considered sing the complex networks concept neuron sensors in the brain lose communication and ***,affected sensor nodes in a contraction are equivalent to compensate for maintaining stability *** this compensation,loss of observability depends on the contraction size which is a key factor for employing a complex *** analyze the observability recovery,we can use a contraction detection algorithm with complex network *** survey paper shows that contraction size will allow us to improve the performance of brain communication,stability of neurons,etc.,through the clustering coefficient considered in the contraction detection *** addition,we discuss the scalability of IoT communication using 5G+/6G

关键词： Complex networks emerging communication IoT based on 6G systems neuroscience photonic technology

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Assessment of Breast Cancer Prevention Practices among Women Attending Primary Health Care in Abha City, Aseer Region, Saudi Arabia

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International Journal of Clinical Medicine 2024年第2期15卷 31-54页

作者： Sabah Mohammed Asiri Sultan Yahia Alfifii Tagreed Khairan Al-Rashidi Sager Misfer Alqahtani Faiz Abdulrahman Alshafa Fayez Mari alamri Amal Mohammed Asiri Fatima Mohammed Ali Almagadi Thuraya Mohammed Asiri Department of Therapeutic Assistance Management General Directorate of Health Affairs Asser Region Abha Saudi Arabia Department of Health Affairs General Directorate of Health Affairs Asser Region Abha Saudi Arabia Department of Kidney King Khaled Hospital Hail Saudi Arabia Department of Nursing Sarat Abida Hospital Aseer Saudi Arabia Department of Radiation Oncology King Faisal Medical City Abha Saudi Arabia Department of Health Affairs KSA MOH Department of Kidney Dialysis Centers General Directorate of Health Affairs Aseer Region Abha Saudi Arabia Department of Operation Ahad Rafidah Hospital General Directorate of Health Affairs in Asseer Region Abha Saudi Arabia South Qunfudah General Hospital Jizan Saudi Arabia Armed Forces Southern Region Hospital Aseer Saudi Arabia

Cancer is a leading cause of death worldwide, with breast cancer being the most common (2.26 million new cases and 685,000 deaths). In Saudi Arabia, breast cancer ranked the first among females in 2014, accounting for 15.9% of all cancers reported among Saudi nationals and 28.7% of all cancers reported among females of all ages. Early detection of breast cancer could decrease the risks, have a better prognosis, and have better outcomes/more successful treatments. Prevalence of breast cancer reached more than 25% of all diagnosed cancer in the kingdom among women. Aim: This study aims to assess the knowledge and performance of women attending primary care centers about breast self-examination and mammogram screening for prevention and early detection of breast cancer in Abha city primary healthcare centers, Kingdom of Saudi Arabia. Research Method: cross sectional design was conducted by using questionnaire, which was distributed to primary care center nurses. The collected data was statistically analyzed using the Statistical Package for Social Sciences, version 25. Results: The study found that participants had poor awareness and knowledge about breast self-examination, risk factors for breast cancer, and trends and practices in early diagnosis of breast cancer. Conclusion and Recommendations: It recommends increasing awareness campaigns and providing educational programs to improve knowledge and practices.

关键词： Assessment Breast Cancer Prevention Practices Women Attending Health Care Centers Abha City

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An Optimized Method for Accounting Information in Logistic Systems

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Computer Systems Science & Engineering 2023年第5期45卷 1595-1609页

作者： Ahmad Mohammed alamri Ahmad Ali AlZubi Administrative Sciences Department Community CollegeKing Saud UniversityRiyadhSaudi Arabia Computer Science Department Community CollegeKing Saud UniversityP.O.Box 28095Riyadh11437Saudi Arabia

In the era of rapid information development,with the popularity of computers,the advancement of science and technology,and the ongoing expansion of IT technology and business,the enterprise resource planning(ERP)system has evolved into a platform and a guarantee for the fulfilment of company management procedures after long-term *** of developments in information technology,most manual accounting procedures are being replaced by computerized Accounting Information Systems(AIS),which are quicker and more *** primary factors influencing the decisions of logistics firm trading parties are investigated in order to enhance the design of decision-supporting modules and to improve the performance of logistics enterprises through *** paper proposed a novel approach to calculate the weights of each information element in order to establish their important *** main purpose of this research is to present a quantitative analytic approach for determining the important information of logistics business collaboration ***,the idea of total orders and the significant degrees stated above are used to identify the optimal order of all information *** the three ways of marginal revenue,marginal cost,and business matching degree,the information with cumulative weights is which is deployed to form the data from the intersection of the best *** has the ability to drastically reduce the time and effort required to create a logistics business control/decision-making system.

关键词： Accounting information systems decisions systems corporate accounting logistic system

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Towards Improving Predictive Statistical Learning Model Accuracy by Enhancing Learning Technique

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Computer Systems Science & Engineering 2022年第7期42卷 303-318页

作者： Ali Algarni Mahmoud Ragab Wardah alamri Samih MMostafa Statistics Department Faculty of ScienceKing Abdulaziz UniversityJeddah21589Saudi Arabia Information Technology Department Faculty of Computing and Information TechnologyKing Abdulaziz UniversityJeddah21589Saudi Arabia Mathematics Department Faculty of ScienceAl-Azhar UniversityNaser City11884Egypt Centre of Artificial Intelligence for Precision Medicines King Abdulaziz UniversityJeddah21589Saudi Arabia Educational Technology Department Educational Graduate Studies FacultyKing Abdulaziz UniversityJeddah21589Saudi Arabia Computer Science Department Faculty of Computers and InformationSouth Valley UniversityQena83523Egypt

The accuracy of the statistical learning model depends on the learning technique used which in turn depends on the dataset’s *** most research studies,the existence of missing values(MVs)is a vital *** addition,any dataset with MVs cannot be used for further analysis or with any data driven tool especially when the percentage of MVs are *** this paper,the authors propose a novel algorithm for dealing with MVs depending on the feature selec-tion(FS)of similarity classiﬁer with fuzzy entropy *** proposed algo-rithm imputes MVs in cumulative *** candidate feature to be manipulated is selected using similarity classiﬁer with Parkash’s fuzzy entropy *** predictive model to predict MVs within the candidate feature is the Bayesian Ridge Regression(BRR)***,any imputed features will be incorporated within the BRR equation to impute the MVs in the next chosen incomplete *** proposed algorithm was compared against some practical state-of-the-art imputation methods by conducting an experiment on four medical datasets which were gathered from several databases repository with MVs gener-ated from the three missingness *** evaluation metrics of mean abso-lute error(MAE),root mean square error(RMSE)and coefﬁcient of determination(R2 score)were used to measure the *** results exhibited that perfor-mance vary depending on the size of the dataset,amount of MVs and the missing-ness mechanism ***,compared to other methods,the results showed that the proposed method gives better accuracy and less error in most cases.

关键词： Bayesian ridge regression fuzzy entropy measure feature selection imputation missing values missingness mechanisms similarity classiﬁer medical dataset

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