Arab Journal of Basic and Applied Sciences最新文献_第10页

Fractional Laplace transform for matrix valued functions with applications 矩阵值函数的分数阶拉普拉斯变换及其应用

Arab Journal of Basic and Applied Sciences Pub Date : 2022-09-26 DOI: 10.1080/25765299.2022.2127458

Ahmed Bouchenak, M. Al Horani, J. A. Younis, R. Khalil, Mohamed A. Abd El salam

引用次数: 1

Discovery of inhibitors against SARS-CoV-2 associated fungal coinfections via virtual screening, ADMET evaluation, PASS, molecular docking, dynamics and pharmacophore studies 通过虚拟筛选、ADMET评估、PASS、分子对接、动力学和药效团研究发现抗严重急性呼吸系统综合征冠状病毒2型相关真菌合并感染的抑制剂

Arab Journal of Basic and Applied Sciences Pub Date : 2022-09-26 DOI: 10.1080/25765299.2022.2126588

Talia Serseg, K. Benarous, Menaouar Serseg, H. M. Rehman, Y. El Bakri, S. Goumri‐Said

{"title":"Discovery of inhibitors against SARS-CoV-2 associated fungal coinfections via virtual screening, ADMET evaluation, PASS, molecular docking, dynamics and pharmacophore studies","authors":"Talia Serseg, K. Benarous, Menaouar Serseg, H. M. Rehman, Y. El Bakri, S. Goumri‐Said","doi":"10.1080/25765299.2022.2126588","DOIUrl":"https://doi.org/10.1080/25765299.2022.2126588","url":null,"abstract":"Abstract The black fungus is a SARS-CoV-2-associated fungal co-infection. Mechanisms by which antifungal drugs act against Mucormycosis are by inhibition of enzymes implicated in ergosterol biosynthesis or cell wall formation or the drug interaction directly with ergosterol. Since it has been shown that the reduction of ergosterol biosynthesis prevents this infection, we carried out a virtual screening with molecular docking analysis and tested a dataset of 880 molecules for its effects on an enzyme involved in ergosterol biosynthesis (CYP51) and fungal infection (lipase), as well as ADMET and toxicity properties of the studied molecules. We calculated the stability of the complex’s inhibitor-enzyme throughout the time using molecular dynamics simulations. From this, initial screening indicated that 600 out of a total of 880 compounds have a good affinity towards sterol 14α-demethylase. The two compounds ZINC95486139 and ZINC33833639 were determined as safe and have good drug-likeness properties, and have binding energies of −75.07 and −83.89 kcal/mol, respectively by MMGBSA and create strong and stable interactions with the residues of the active site of the enzyme. To the best of our knowledge, ZINC95486139 and ZINC33833639 have not yet been described in the literature as anti-sterol 14α-demethylase inhibitors or evaluated for their anti-fungal activity.","PeriodicalId":37239,"journal":{"name":"Arab Journal of Basic and Applied Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46686522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Closed-form solutions of dynamic vibration equations of seismically excited structures 地震激励结构动力振动方程的闭式解

Arab Journal of Basic and Applied Sciences Pub Date : 2022-09-24 DOI: 10.1080/25765299.2022.2124754

Ayman Abd-Elhamed, M. Fathy, K. M. Abdelgaber

引用次数: 1

Investigation of time-fractional mathematical model of COVID-19 with nonsingular kernel 具有非奇异核的COVID-19时间分数数学模型研究

Arab Journal of Basic and Applied Sciences Pub Date : 2022-09-14 DOI: 10.1080/25765299.2022.2119685

A. Adnan, Amir Ali

{"title":"Investigation of time-fractional mathematical model of COVID-19 with nonsingular kernel","authors":"A. Adnan, Amir Ali","doi":"10.1080/25765299.2022.2119685","DOIUrl":"https://doi.org/10.1080/25765299.2022.2119685","url":null,"abstract":"Abstract In this article, a mathematical model of COVID-19 is investigated using the Atangana–Baleanu in sense of Caputo fractional operator. Mathematical analysis and modeling has led the results (allow policymakers to understand and predicts the dynamics of infectious disease under several different scenarios) about various nonpharmaceutical involvements to restrict the spread of pandemic disease worldwide. The present investigation meant to study worldwide research activity on mathematical modeling of spread and control of several infectious diseases with a known history of serious outbreaks. The existence of a unique solution is studied using a fixed point theorems. The stability of the solution is carried out through the concept of Ulam–Hyers stability. The considered model is computationally analyzed through the Adams–Bashforth technique. A fresh investigation with the proposed epidemic model is brought and the obtain results are define using plots which shows the performance of the classes of the consider model. The results show that the proposed scheme is very insistent and obvious to operate for the system of nonlinear equations. One can see a quick stability of all the compartments as the order decrease to noninteger values as compared to integer-order θ = 1. All theoretical results are simulated and validated through numerical simulations.","PeriodicalId":37239,"journal":{"name":"Arab Journal of Basic and Applied Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42517398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Linear and quadratic multiple regressions analysis on magneto-thermal and chemical reactions on the Casson-Williamson nanofluids boundary layer flow under Soret-Dufour mechanism Soret-Dufour机制下Casson-Williamson纳米流体边界层流动磁热和化学反应的线性和二次多元回归分析

Arab Journal of Basic and Applied Sciences Pub Date : 2022-08-30 DOI: 10.1080/25765299.2022.2115688

B. Falodun, E. O. Ige

{"title":"Linear and quadratic multiple regressions analysis on magneto-thermal and chemical reactions on the Casson-Williamson nanofluids boundary layer flow under Soret-Dufour mechanism","authors":"B. Falodun, E. O. Ige","doi":"10.1080/25765299.2022.2115688","DOIUrl":"https://doi.org/10.1080/25765299.2022.2115688","url":null,"abstract":"Abstract The focus of this paper is to conduct research on MHD Casson-Williamson nanofluids flow over an inclined plate with the influence of thermal radiation and Soret-Dufour mechanisms using spectral collocation and statistical analysis. The simultaneous flow of Casson-Williamson non-Newtonian fluids in the presence of a magnetic field, Joule heating, chemical reaction, and viscous dissipation is modelled by utilizing partial differential equations (PDEs). These equations were transformed into coupled nonlinear ordinary differential equations by using an appropriate similarity variable. A numerical and statistical analysis was performed on the transformed equations to obtain significant effects of flow parameters on velocity, temperature, and concentration distributions. An increase in the value of the thermal radiation is observed to increase the fluid temperature, thermal condition, and thermal boundary layer thickness. An increased value of magnetic parameter was observed to decrease the fluid velocity. Due to a magnetic field and the dynamic plastic viscosity, the hydrodynamic boundary layer was observed to decline due to an increase in Casson parameter. The present study was compared with studies in the literature and found in good agreement.","PeriodicalId":37239,"journal":{"name":"Arab Journal of Basic and Applied Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41276259","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

A review on the chemistry and pharmacological properties of benzodiazepine motifs in drug design 药物设计中苯二氮卓基序的化学和药理学性质综述

Arab Journal of Basic and Applied Sciences Pub Date : 2022-08-30 DOI: 10.1080/25765299.2022.2117677

Olayinka O. Tolu-Bolaji, S. Sojinu, Adebola P. Okedere, O. Ajani

{"title":"A review on the chemistry and pharmacological properties of benzodiazepine motifs in drug design","authors":"Olayinka O. Tolu-Bolaji, S. Sojinu, Adebola P. Okedere, O. Ajani","doi":"10.1080/25765299.2022.2117677","DOIUrl":"https://doi.org/10.1080/25765299.2022.2117677","url":null,"abstract":"Abstract Benzodiazepines are an important class of heterocyclic compounds in organic chemistry. They are known for their diverse physicochemical and biological properties. Some benzodiazepine derivates are well-known drugs with diverse and strong pharmacophoric moiety. An immense number of pharmacological research on benzodiazepine heterocycles and their derivatives have recently been conducted to explore its numerous pharmacological potentials as better therapeutic candidates for the treatment of various disorders, benzodiazepines, however, are one of the main sources of interest for many medicinal chemists. Researchers are drawn to the benzodiazepine nucleus for the synthesis of new drugs because of its potent pharmacophoric moiety and ring shape. Due to the emergence of new pathogenic strains’ resistance to the presently available drugs, there has been a constant demand for more effective and selective drugs. Benzodiazepine moiety has all the desired qualities for selective drug candidates used as useful therapeutic agents. Given the importance of benzodiazepine moiety, the current review aims to assess benzodiazepine syntheses as well as their pharmacological properties for potential molecular targets in therapeutic development.","PeriodicalId":37239,"journal":{"name":"Arab Journal of Basic and Applied Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46392405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 10

Closed-form formula for a classical system of matrix equations 经典矩阵方程组的封闭公式

Arab Journal of Basic and Applied Sciences Pub Date : 2022-08-25 DOI: 10.1080/25765299.2022.2113497

A. Rehman, Ivan Kyrchei, Israr Ali Khan, Muhammad Nasir, Imran Ali

引用次数: 1

Extension of lower and upper solutions approach for generalized nonlinear fractional boundary value problems 广义非线性分式边值问题上下解方法的推广

Arab Journal of Basic and Applied Sciences Pub Date : 2022-08-23 DOI: 10.1080/25765299.2022.2112646

Asmat Batool, Imran Talib, M. Riaz, C. Tunç

引用次数: 4

ANN-based methods for solving partial differential equations: a survey 基于人工神经网络的偏微分方程求解方法综述

Arab Journal of Basic and Applied Sciences Pub Date : 2022-08-13 DOI: 10.1080/25765299.2022.2104224

D. A. Pratama, Maharani A. Bakar, N. B. Ismail, Mashuri M

{"title":"ANN-based methods for solving partial differential equations: a survey","authors":"D. A. Pratama, Maharani A. Bakar, N. B. Ismail, Mashuri M","doi":"10.1080/25765299.2022.2104224","DOIUrl":"https://doi.org/10.1080/25765299.2022.2104224","url":null,"abstract":"Abstract Traditionally, partial differential equation (PDE) problems are solved numerically through a discretization process. Iterative methods are then used to determine the algebraic system generated by this process. Recently, scientists have emerged artificial neural networks (ANNs), which solve PDE problems without a discretization process. Therefore, in view of the interest in developing ANN in solving PDEs, scientists investigated the variations of ANN which perform better than the classical discretization approaches. In this study, we discussed three methods for solving PDEs effectively, namely Pydens, NeuroDiffEq and Nangs methods. Pydens is the modified Deep Galerkin method (DGM) on the part of the approximate functions of PDEs. Then, NeuroDiffEq is the ANN model based on the trial analytical solution (TAS). Lastly, Nangs is the ANN-based method which uses the grid points for the training data. We compared the numerical results by solving the PDEs in terms of the accuracy and efficiency of the three methods. The results showed that NeuroDiffeq and Nangs have better performance in solving high-dimensional PDEs than the Pydens, while Pydens is only suitable for low-dimensional problems.","PeriodicalId":37239,"journal":{"name":"Arab Journal of Basic and Applied Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42882513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

On Maxwell–Lomax distribution: properties and applications 关于Maxwell-Lomax分布:性质和应用

Arab Journal of Basic and Applied Sciences Pub Date : 2022-07-12 DOI: 10.1080/25765299.2022.2093033

A. A. Abiodun, A. I. Ishaq

引用次数: 4