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High-throughput computational screening and in vitro evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione(C3),as a novel EGFR—HER2 dual inhibitor in gastric tumors

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Oncology Research 2024年第2期32卷 251-259页

作者： MESFER AL SHAHRANI REEM GAHTANI mohammad ABOHASSAN mohammad ALSHAHRANI YASSER ALRAEY AYED DERA mohammad rajeh asiri PRASANNA RAJAGOPALAN Department of Clinical Laboratory Sciences College of Applied Medical SciencesKing Khalid UniversityAbhaSaudi Arabia

Gastric cancers are caused primarily due to the activation and amplification of the EGFR or HER2 kinases resulting in cell proliferation,adhesion,angiogenesis,and *** therapies are ineffective due to the intra-tumoral heterogeneity and concomitant genetic ***,dual inhibition strategies are recommended to increase potency and reduce *** this study,we have conducted computational high-throughput screening of the ChemBridge library followed by in vitro assays and identified novel selective inhibitors that have a dual impediment of EGFR/HER2 kinase ***-based High-throughput Virtual Screening(D-HTVS)was used to screen the whole ChemBridge small molecular library against EGFR and *** atomistic molecular dynamic simulation was conducted to understand the dynamics and stability of the protein-ligand ***/HER2 kinase enzymes,KATOIII,and Snu-5 cells were used for in vitro *** atomistic Molecular Dynamics simulations followed by solvent-based Gibbs binding free energy calculation of top molecules,identified compound C3(5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione)to have a good affinity for both EGFR and *** predicted compound,C3,was promising with better binding energy,good binding pose,and optimum interactions with the EGFR and HER2 residues.C3 inhibited EGFR and HER2 kinases with IC50 values of 37.24 and 45.83 nM,*** GI50 values of C3 to inhibit KATOIII and Snu-5 cells were 84.76 and 48.26 nM,*** on these findings,we conclude that the identified compound C3 showed a conceivable dual inhibitory activity on EGFR/HER2 kinase,and therefore can be considered as a plausible lead-like molecule for treating gastric cancers with minimal side effects,though testing in higher models with pharmacokinetic approach is required.

关键词： Dual inhibitor Drug discovery EGFR/HER2 kinase Gastric cancer High-throughput screening

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Bilirubin sensor based on CuO-CdO composites deposited in a nafion/glassy carbon electrode matrixes

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Progress in Natural Science:Materials International 2017年第5期27卷 566-573页

作者： Mohammed M.Rahman mohammad Musarraf Hussain Abdullah M.asiri Chemistry Department King Abdulaziz UniversityFaculty of Science Center of Excellence for Advanced Material Research (CEAMR) King Abdulaziz University

Copper oxide-cadmium oxide nanocomposites(CuO-CdO NCs) were synthesized by solvothermal technique in a basic medium. CuO-CdO NCs were characterized using conventional techniques, such as Fourier Transform Infrared Spectroscopy(FTIR), UV–Visible Spectroscopy(UV/Vis), Field-Emission Scanning Electron Microscopy(FESEM), X-ray electron dispersive spectroscopy(XEDS), X-ray photoelectron spectroscopy(XPS), and powder X-ray diffraction(XRD). A selective and enzyme-less Bilirubin(BLR) sensor was developed with a thin-layer of NCs onto a glassy carbon electrode(GCE, surface area = 0.0316 cm~2) using 5% nafion binders at room conditions. Improved electrochemical performances of higher sensitivity, lower detection limit,linear dynamic range(LDR), and long-term stability of preferred BLR were achieved by a reliable currentvoltage(I-V) approach. The calibration curve was found linear(R~2= 0.9347) in a wide range of BLR concentration(10.0 pM ~ 10.0 mM). Based on the signal to noise ratio value of 3, the sensitivity and limit of detection(LOD) of the sensor were calculated as 95.0 pA μM-1cm-2and 1.0 ± 0.1 pM *** synthesized CuO-CdO NCs/GCE is an excellent advancement of developing a selective and sensitive BLR sensor by electrochemical approach and practically implemented in real sample applications.

关键词： CuO-CdO nanocomposites Bilirubin biosensor Glassy carbon electrode Sensitivity Real sample analysis Health care field

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An Improved Machine Learning Technique with Effective Heart Disease Prediction System

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Computers, Materials & Continua 2021年第12期69卷 4169-4181页

作者： mohammad Tabrez Quasim Saad Alhuwaimel Asadullah Shaikh Yousef asiri Khairan Rajab Rihem Farkh Khaled Al Jaloud College of Computing and Information Technology University of BishaBisha67714Saudi Arabia King Abdulaziz City for Science and Technology P.O.Box 6086Riyadh11442Saudi Arabia College of Computer Science and Information Systems Najran UniversityNajran61441Saudi Arabia College of Engineering Muzahimiyah BranchKing Saud UniversityRiyadh11451Saudi Arabia Department of Electrical Engineering Laboratory for AnalysisConception and Control of SystemsLR-11-ES20National Engineering School of TunisTunis El Manar University1002Tunisia

Heart disease is the leading cause of death *** heart disease is challenging because it requires substantial experience and *** research studies have found that the diagnostic accuracy of heart disease is *** coronary heart disorder determines the state that influences the heart valves,causing heart *** indications of coronary heart disorder are strep throat with a red persistent skin rash,and a sore throat covered by tonsils or strep *** work focuses on a hybrid machine learning algorithm that helps predict heart attacks and arterial *** first,we achieved the component perception measured by using a hybrid cuckoo search particle swarm optimization(CSPSO)*** this perception measure,characterization and accuracy were improved,while the execution time of the proposed model was *** CSPSO-deep recurrent neural network algorithm resolved issues that state-of-the-art methods *** proposed method offers an illustrative framework that helps predict heart attacks with high *** proposed technique demonstrates the model accuracy,which reached 0.97 with the applied dataset.

关键词： Machine learning deep recurrent neural network effective heart disease prediction framework

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Periodontal Health among Type 2 Diabetes Patients Treated with Different Dental Restorations

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Open Journal of Stomatology 2021年第8期11卷 278-296页

作者： mohammad Albakry Michael Vincent Swain Abdo Abdul-Razzaq Falah Alshammary Waleed asiri Restorative Dental Sciences Faculty of Dentistry University of Najran Najran KSA Biomaterials Science Research Unit School of Aerospace Mechanical and Mechatronic Engineering Biomechanics Engineering The University of Sydney Sydney New South Wales Australia Preventive Dental Sciences Faculty of Dentistry University of Najran Najran KSA Preventive Dental Sciences Faculty of Dentistry University of Hail Hail KSA

Background: Diabetes increases periodontal disease risk and its complications, which are worsened with age or faulty restorations. Aim: Evaluate periodontal health among patients with diabetes treated with different dental restorations. Materials and Methods: This comparative cross-sectional study was conducted at the faculty of dentistry, Najran University, KSA, from March 2018 to February 2020. It included 260 diabetics, treated with different dental restorations, divided into four groups, each comprising 65 patients aged 45 - 60 years: Group 1 (G1), no restorations (control group);Group 2 (G2), Class II amalgam restorations;Group 3 (G3), Class II composite resin restorations;and Group 4 (G4), three-unit posterior metal ceramic prostheses. The Ages of all restorations ranged from 8 to 10 years. All groups were assessed for the Plaque Index (PI) and Gingival Index (GI), Overhangs Rate (OR), Alveolar Bone Loss (ABL) (the latter two using panoramic X-ray). HbA1c and duration of participants were also assessed and compared. Results: The mean HbA1c results of the groups ranged from 8.1% to 9.5%, and their mean diabetes durations ranged from 7.2 to 12 years. All the groups showed worse periodontal scores, ranging from 2.45 - 2.95 for PI and 2.25 - 2.8 for GI. G2 had higher scores than G1 and G3 (p p p p = 0.987). The highest value was observed in G4, which was significantly higher than other groups (p Conclusion: The worse periodontal parameters among subjects treated with either three-unit metal ceramic or Class II amalgam restorations indicated severe periodontal de

关键词： Diabetes Mellitus Alveolar Bone Loss Plaque Index Dental Restoration

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