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Artificial neural network-enhanced unconditionally stable finite-difference time-domain technique for multiscale problems
IF 2.7
Scientific African Pub Date : 2025-03-12 DOI: 10.1016/j.sciaf.2025.e02645
Oluwole John Famoriji, Thokozani Shongwe
{"title":"Artificial neural network-enhanced unconditionally stable finite-difference time-domain technique for multiscale problems","authors":"Oluwole John Famoriji,&nbsp;Thokozani Shongwe","doi":"10.1016/j.sciaf.2025.e02645","DOIUrl":"10.1016/j.sciaf.2025.e02645","url":null,"abstract":"<div><div>Electromagnetic sensing and system-level design challenges are often multiscale in nature, making them difficult to solve. These challenges will likely continue to hinder system-level sensing and design optimization for the foreseeable future. Typically, such multiscale problems involve three electrical scales: the fine scale, the coarse scale, and the intermediate scale that lies between them. The significant differences in scale across both spatial and temporal domains present major difficulties in numerical modeling and simulation. In this paper, a new artificial neural network (ANN) and unconditionally stable finite-difference time-domain (FDTD) technique for multiscale problems is proposed. The field data at these points is the output of ANN-FDTD, which takes as its input the point position of the spatial grid division in FDTD. Every time step, the output of the ANN and a known forced excitation source were used to build the hypothetical solution of Maxwell's equations. The gradient of the ANN's output with respect to the input vector indicates the error of the system. Labeled samples are not required for training as the backpropagation (BP) algorithm uses this error value to update the ANN parameters. In this case, ANN is trained to guarantee that the boundary requirements are satisfied by the hypothetical response. Every time-marching phase involves training a different ANN, so the results from one step do not impact the results from the next. With finely structured microwave components, the time step of the ANN-FDTD can be selected to be substantially bigger than that of the conventional FDTD. In addition, it is possible to partition each time step into blocks for parallel calculation. The accuracy and effectiveness of the proposed technique are verified by three numerical examples. The proposed method finds applications in antenna design, metamaterials, wireless communications, and wave propagation in complex environments.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02645"},"PeriodicalIF":2.7,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adansonia digitata and Daniella oliveri seed oils and cosmeceutical products exhibited potent pharmacological and marginal toxicity on fibroblast cells
IF 2.7
Scientific African Pub Date : 2025-03-12 DOI: 10.1016/j.sciaf.2025.e02643
O. Atolani , A.T. Kola-Mustapha , D.E. Tarigha , E.T. Areh , A.T. Hamzat , O.S. Adeyemi
{"title":"Adansonia digitata and Daniella oliveri seed oils and cosmeceutical products exhibited potent pharmacological and marginal toxicity on fibroblast cells","authors":"O. Atolani ,&nbsp;A.T. Kola-Mustapha ,&nbsp;D.E. Tarigha ,&nbsp;E.T. Areh ,&nbsp;A.T. Hamzat ,&nbsp;O.S. Adeyemi","doi":"10.1016/j.sciaf.2025.e02643","DOIUrl":"10.1016/j.sciaf.2025.e02643","url":null,"abstract":"<div><div>There is a growing demand for the use of seed oils in food, pharmaceuticals, and cosmetics, especially in skincare and hair care products. The aim of this study was to formulate organic cosmetic products from underutilized seed oils and evaluate their pharmacological and toxicity potentials. Human foreskin fibroblast cells were used to evaluate the cytotoxicity of the sample, while using staurosporine as positive control drug. Standard agar diffusion assays were utilized to assess the in vitro antimicrobial activities against a variety of organisms, such as <em>Streptococcus aureus, Klebsiella pneumoniae, Bacillus subtilis, Escherichia coli, S. typhi, Pseudomonas aeruginosa, Candida albicans, Aspergillus niger, Penicillium notatam</em>, and <em>Rhizopus stoloniler</em> while the anti-inflammatory potential was evaluated using lipoxygenase inhibition assay. The ability of the seed oils and formulated cosmeceutical products to act as antioxidants were examined using complimentary DPPH and ABTS radical scavenging assays. In addition, the anti-parasitic effect of seed oil against <em>Toxoplasma gondii</em> was established. The green organic medicated soaps and emollients, free of all synthetic antioxidants, preservatives, colourants, stabilizers, perfumes and antibiotics were produced. The oils and their value-added cosmetic products from the seed of <em>A. digitata</em> and <em>D. oliveri</em> yielded 29 % and 16 % product and exhibited suitable physicochemical parameters comparable to edible oils used for industrial purposes. While <em>A. digitata</em> oil showed the presence of 22 fatty acids with oleic acid (46.04 %) and palmitic acid (19.98 %) as most predominant with total unsaturation of 60.55 %, <em>D. oliveri</em> showed 12-hydroxydodecanoic acid (23.25 %) and pentadecanoic acid (21.13 %) as the most predominant with total unsaturation of 20.54 %. The presence of essential fatty acids coupled with significant antioxidants, antimicrobial and low in vitro cytotoxicity underscore the cosmeceutical prospects of the plants. Although the Emollient exhibited a slightly reduced level of inhibition towards the tested clinical pathogens with a minimum inhibitory concentration value ranging from 50 to 100 mg/mL, the products hold huge promise as purely organic formulations with significant level of antimicrobial activities comparable to the standard drugs. While further in vivo toxicological evaluations would be required, the seed oils open up a channel of research for bountiful scientific explorations.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02643"},"PeriodicalIF":2.7,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143726156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of cytotoxic potential of Callistemon leaf extracts against breast and colon cancer: Metabolomic, flow cytometry and in silico studies
IF 2.7
Scientific African Pub Date : 2025-03-11 DOI: 10.1016/j.sciaf.2025.e02638
Amira Y. Eissa , Kamilia F. Taha , Abeer A. Dahab , Usama R. Abdelmohsen , Khayrya A. Youssif , Mona H. Ibrahim , Seham S. El-Hawary , Manal M. Sabry
{"title":"Evaluation of cytotoxic potential of Callistemon leaf extracts against breast and colon cancer: Metabolomic, flow cytometry and in silico studies","authors":"Amira Y. Eissa ,&nbsp;Kamilia F. Taha ,&nbsp;Abeer A. Dahab ,&nbsp;Usama R. Abdelmohsen ,&nbsp;Khayrya A. Youssif ,&nbsp;Mona H. Ibrahim ,&nbsp;Seham S. El-Hawary ,&nbsp;Manal M. Sabry","doi":"10.1016/j.sciaf.2025.e02638","DOIUrl":"10.1016/j.sciaf.2025.e02638","url":null,"abstract":"<div><div>This study explores the phytochemical and the cytotoxic prospective of leaf ethanol extracts from four <em>Callistemon</em> species (<em>C. citrinus, C. macropunctatus, C. viminalis, and C. subulatus</em>) against breast (MCF-7) and colon (Caco-2) cancer cell lines. Metabolomic profiling of the ethanolic extracts of the studied <em>Callistemon</em> species was performed using UPLC-ESI-MS/MS. <em>In-vitro</em> cytotoxicity effects were evaluated using 3-(4,5-dimethylthiazol-2- yl)-2,5-diphenyltetrazolium bromide (MTT) assay followed by flow cytometric analysis. In-silico docking studies of predominant compounds against cell cycle regulatory enzymes were conducted, followed by molecular dynamics simulations for top binding interactions. UPLC-ESI-MS/MS tentatively identified 20 compounds in the extracts, with lignans, and flavonoids being prominent. <em>C. macropunctatus</em> extract showed the strongest cytotoxicity against both cancer lines. Notably, this extract induced cell cycle arrest at S and G1 phases in both MCF-7 and Caco-2 cells, as well as promoted apoptosis. In-silico docking simulations further investigated that the evaluated compounds exhibited promising binding affinities (-6.6 to -11.2 kcal/mol) particularly cyanidin 3,5-diglucoside (-11.1), nilocitin (-10.9), and quercetin 3-<em>O</em>-(2′'-galloyl)-<em>β</em>-d-galactopyranoside (-11.2), exhibited the most favourable docking scores towards cyclin-dependent kinase-2 CDK2, a key cell cycle regulator, compared to the co-crystal ligand roniciclib (-9.5). These findings suggest strong interactions with crucial CDK2 amino acid residues. Collectively, this study highlights the cytotoxic potential of <em>Callistemon</em> leaf extracts, particularly <em>C. macropunctatus</em>, warranting further exploration of their anti-cancer properties, with a focus on CDK2 inhibition mechanisms.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02638"},"PeriodicalIF":2.7,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chromium bioremediation mechanistic action assessment using bacterial consortium isolated from Egyptian Petroleum Refining Company
IF 2.7
Scientific African Pub Date : 2025-03-11 DOI: 10.1016/j.sciaf.2025.e02642
Moaaz T. Hamed , Bassma H. Elwakil , Mohamed Hagar , Doaa Ahmed Ghareeb , Zakia A. Olama
{"title":"Chromium bioremediation mechanistic action assessment using bacterial consortium isolated from Egyptian Petroleum Refining Company","authors":"Moaaz T. Hamed ,&nbsp;Bassma H. Elwakil ,&nbsp;Mohamed Hagar ,&nbsp;Doaa Ahmed Ghareeb ,&nbsp;Zakia A. Olama","doi":"10.1016/j.sciaf.2025.e02642","DOIUrl":"10.1016/j.sciaf.2025.e02642","url":null,"abstract":"<div><div>Bioremediation is a rising technique for heavy metals removal. The current study aimed to evaluate the removal of chromium using a native bacterial consortium. The bacterial consortium B (<em>Providencia rettgri</em> DSM 4542, <em>Bacillus altitudinis</em> 41KF2b and <em>Bacillus tropicus</em> MCCC1A01406) reported the maximum chromium tolerance. Taguchi statistical design was used for the optimization of the physiological factors affecting chromium bioremediation which revealed that 48 h incubation, pH 9; Cr concentration, 90 ppm; inoculum size, 15 ml; inoculum age, 72 h; peptone, 2.5 g; beef extract, 1.5 g; yeast extract, 1.5 g and NaCl, 0.5 g at 40 °C were the optimum conditions reaching 92.3 % chromium removal. The interactions between Cr<sup>6+</sup> concentration (ppm) and inoculum size (ml) were the most significant factors. Electron microscopic and proteomic studies showed that the chromium ions were not adsorbed by the potent consortium but rather bioaccumulated via sulphate transporters with the release of the reduced chromium (Cr<sup>3+</sup>) in the surrounding medium. Furthermore, consortium B used malate dehydrogenase and a peptide-binding periplasmic ABC transporter to reduce Cr<sup>6+</sup> to Cr<sup>3+</sup>. It can be concluded that the present consortia is a suitable bioremediation tool.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02642"},"PeriodicalIF":2.7,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigating the evolutionary dynamics of second-line Mycobacterium tuberculosis drug resistance in Tanzania using hypercubic modelling and the Baum–Welch algorithm
IF 2.7
Scientific African Pub Date : 2025-03-10 DOI: 10.1016/j.sciaf.2025.e02627
Leonce Leandry , Egbert Mujuni , Eunice W. Mureithi , Morten Brun , Mary Mayige
{"title":"Investigating the evolutionary dynamics of second-line Mycobacterium tuberculosis drug resistance in Tanzania using hypercubic modelling and the Baum–Welch algorithm","authors":"Leonce Leandry ,&nbsp;Egbert Mujuni ,&nbsp;Eunice W. Mureithi ,&nbsp;Morten Brun ,&nbsp;Mary Mayige","doi":"10.1016/j.sciaf.2025.e02627","DOIUrl":"10.1016/j.sciaf.2025.e02627","url":null,"abstract":"<div><div><em>Mycobacterium tuberculosis</em> (MTB) continues to pose a significant threat to public health, particularly with the emergence of drug-resistant strains. Research shows that first-line anti-tuberculosis drugs are increasingly failing, and second-line drugs are also showing resistance. This study investigates the evolutionary dynamics of second-line drugs used against MTB, specifically Bedaquiline, Delamanid, Linezolid, Clofazimine, and Levofloxacin. Data were collected from the Tanzania National Institute of Medical Research (NIMR) at the Central Tuberculosis Reference Laborator Muhimbili Centre (CTRL). The data were analysed using a 5-hypercubic model, with parameters estimated using the Baum–Welch algorithm. The findings show that the most probable drug-resistant acquisition, independent of other drugs analysed, is Bedaquiline with a probability of 0.8660 and Levofloxacin with a probability of 0.134. The evolutionary pattern begins with Bedaquiline, followed by Levofloxacin, then Clofazimine, and finally either Linezolid or Delamanid, each with an equal probability of occurring. This highlights the evolutionary patterns of drug resistance, providing insights that can inform health experts and policymakers in developing evidence-based, effective interventions to combat this growing public health challenge.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02627"},"PeriodicalIF":2.7,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Density and dentability in norm-attainable classes
IF 2.7
Scientific African Pub Date : 2025-03-08 DOI: 10.1016/j.sciaf.2025.e02621
Joseph Owuor , Benard Okelo , Julia Owino , Jeremiah Kinyanjui
{"title":"Density and dentability in norm-attainable classes","authors":"Joseph Owuor ,&nbsp;Benard Okelo ,&nbsp;Julia Owino ,&nbsp;Jeremiah Kinyanjui","doi":"10.1016/j.sciaf.2025.e02621","DOIUrl":"10.1016/j.sciaf.2025.e02621","url":null,"abstract":"<div><div>We establish the norm-denseness of the norm-attainable class <span><math><mrow><mi>N</mi><mi>A</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span> in the Banach algebra <span><math><mrow><mi>B</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span>, which consists of all bounded linear operators on a complex Hilbert space <span><math><mi>H</mi></math></span>. Specifically, for every <span><math><mrow><mi>O</mi><mo>∈</mo><mi>N</mi><mi>A</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span> and each <span><math><mrow><mi>ϵ</mi><mo>&gt;</mo><mn>0</mn></mrow></math></span>, there exists <span><math><mrow><msup><mrow><mi>O</mi></mrow><mrow><mo>′</mo></mrow></msup><mo>∈</mo><mi>B</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span> such that <span><math><mrow><mo>‖</mo><mi>O</mi><mo>−</mo><msup><mrow><mi>O</mi></mrow><mrow><mo>′</mo></mrow></msup><mo>‖</mo><mo>&lt;</mo><mi>ϵ</mi></mrow></math></span>. This result is achieved through the convergence of sequences and the existence of limit points. The properties <span><math><mi>A</mi></math></span> and <span><math><mi>B</mi></math></span> of Lindenstrauss ensure the density of <span><math><mrow><mi>N</mi><mi>A</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span>, and we show that countable unions, finite intersections, countable tensor products, and countable Cartesian products preserve density in the associated classes. Furthermore, density in <span><math><mrow><mi>N</mi><mi>A</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span> exhibits transitivity. Building on this foundation of density, we next investigate the concept of dentability in norm-attainable classes within the Banach algebra <span><math><mrow><mi>B</mi><mrow><mo>(</mo><mi>H</mi><mo>)</mo></mrow></mrow></math></span>. Dentability, which is closely related to density via Radon–Nikodým property, refers to the existence of a bounded linear norm-attainable operator within the class that lies outside the closed convex hull of the subclass obtained by excluding a sufficiently small ball around this operator. We provide conditions for dentability and <span><math><mi>s</mi></math></span>-dentability in subclasses, closures, closed convex hulls, and superclasses of norm-attainable classes. Moreover, we demonstrate that countable unions, Cartesian products, and finite intersections preserve dentability. We also prove that arbitrary unions, finite intersections, and arbitrary Cartesian products maintain the dentability of classes. Our work significantly contributes to the characterization and understanding of dentability in norm-attainable classes. The findings advance knowledge in operator analysis, operator theory, and optimization, particularly in relation to dentability. These results enhance the study of the lineability and spaceability of norm-attainable classes and Banach spaces.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02621"},"PeriodicalIF":2.7,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Petrov–Galerkin Finite Element Method for the space time fractional Fitzhugh–Nagumo equation
IF 2.7
Scientific African Pub Date : 2025-03-07 DOI: 10.1016/j.sciaf.2025.e02623
Joseph N. Onyeoghane, Ignatius N. Njoseh, John N. Igabari
{"title":"A Petrov–Galerkin Finite Element Method for the space time fractional Fitzhugh–Nagumo equation","authors":"Joseph N. Onyeoghane,&nbsp;Ignatius N. Njoseh,&nbsp;John N. Igabari","doi":"10.1016/j.sciaf.2025.e02623","DOIUrl":"10.1016/j.sciaf.2025.e02623","url":null,"abstract":"<div><div>The Classical Nagumo equation is a non-linear reaction diffusion equation which is modelled to analyse the transmission of nerve impulses. Its Fractional Order in the Riemann–Liouville sense simplifies the model knowing that the Fractional Calculus of arbitrary order handles better real life problems than the classical calculus. We here present a Petrov–Galerkin Finite Element Method, perturbed by the newly developed Mamadu–Njoseh Orthogonal Polynomials for the solution of this model. This work aims at determining the compatibility of the Mamadu–Njoseh polynomials as basis function for the Petrov–Galerkin Finite Element Method, and obtaining an approximate solution for the FitzHugh–Nagumo Equation combined with the Riemann–Liouville fractional calculus. Our result compared with that found in literature showed that our method converges better with minimal error to the exact solution.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02623"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143621127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational screening campaign reveal natural candidates as potential ASK1 inhibitors: Pharmacophore modeling, molecular docking, MMGBSA calculations, ADMET prediction, and molecular dynamics simulation studies
IF 2.7
Scientific African Pub Date : 2025-03-06 DOI: 10.1016/j.sciaf.2025.e02634
Rayan Yousif , Hagar M. Mohamed , Mohammed A. Almogaddam , Khaled M. Elamin , Sabrin R.M. Ibrahim , Bayan E. Ainousah , Ahmed Mohammad Alraddadi , Ehda Ahmad Awad , Abdulrahim A. Alzain
{"title":"Computational screening campaign reveal natural candidates as potential ASK1 inhibitors: Pharmacophore modeling, molecular docking, MMGBSA calculations, ADMET prediction, and molecular dynamics simulation studies","authors":"Rayan Yousif ,&nbsp;Hagar M. Mohamed ,&nbsp;Mohammed A. Almogaddam ,&nbsp;Khaled M. Elamin ,&nbsp;Sabrin R.M. Ibrahim ,&nbsp;Bayan E. Ainousah ,&nbsp;Ahmed Mohammad Alraddadi ,&nbsp;Ehda Ahmad Awad ,&nbsp;Abdulrahim A. Alzain","doi":"10.1016/j.sciaf.2025.e02634","DOIUrl":"10.1016/j.sciaf.2025.e02634","url":null,"abstract":"<div><div>Apoptosis Signal Regulating Kinases 1 (ASK 1) is an upstream kinase in the MAPK superfamily. It carries out phosphorylation of other members within the family, leading to the activation of the P38 MAPK pathway and C-JUN-N-terminal kinases. The onset of this activation cascade occurs through the phosphorylation of extracellular protein kinases (EPKs) which triggers different stimuli like pro-inflammatory cytokines, environmental factors, and internal stressors. These proteins are also known as stress-activated protein kinases (SAPKs) that are linked to various pathological conditions, yet effective inhibitors for this protein have not been witnessed. This study used structural-based pharmacophore modeling, molecular docking, molecular dynamics simulations, and ADMET predictions to identify the compounds that can potentially inhibit ASK1. Based on the SN3 database, 4160 natural compounds were evaluated for their pharmacophoric characteristics. Subsequently, the distinguished compounds in this step underwent MMGBSA calculations and docking. Compounds SN0030543, SN035314, and SN0330056 exhibited XP higher docking score values (−14.240 kcal/mol, 12.00 kcal/mol, and −11.054 kcal/mol, respectively) than that of the bound ligand (−10.785 kcal/mol). After undergoing 100 nanosecond molecular dynamics studies, these compounds displayed durable interactions with the ASK1 binding site. These substances should be given priority for validation as ASK1 inhibitors in upcoming experiments.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02634"},"PeriodicalIF":2.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143579255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of rs3077 (HLA-DPA1 gene) on chronic hepatitis B virus carriage in Cotonou
IF 2.7
Scientific African Pub Date : 2025-03-05 DOI: 10.1016/j.sciaf.2025.e02628
Maurel Laleye , Yanique Goussanou , Simon Azonbakin , Marius Adjagba , Arnaud Agbanlinsou , Godwin Soglo , Max Zinsou Debaly , Jean Sehonou , Anatole Laleye , Tomabu Adjobimey
{"title":"Impact of rs3077 (HLA-DPA1 gene) on chronic hepatitis B virus carriage in Cotonou","authors":"Maurel Laleye ,&nbsp;Yanique Goussanou ,&nbsp;Simon Azonbakin ,&nbsp;Marius Adjagba ,&nbsp;Arnaud Agbanlinsou ,&nbsp;Godwin Soglo ,&nbsp;Max Zinsou Debaly ,&nbsp;Jean Sehonou ,&nbsp;Anatole Laleye ,&nbsp;Tomabu Adjobimey","doi":"10.1016/j.sciaf.2025.e02628","DOIUrl":"10.1016/j.sciaf.2025.e02628","url":null,"abstract":"<div><h3>Introduction</h3><div>Hepatitis B Virus (HBV) is a major global health concern, particularly in sub-Saharan Africa, where infection rates are notably high. Despite this, data on the host genetic contributors to HBV infection, such as the single nucleotide polymorphism rs3077 (HLA-DPA1 gene), are unavailable in this region.</div></div><div><h3>Objective</h3><div>To contribute to closing this gap, the present study explored the association between rs3077 and chronic hepatitis B virus (HBV) carriage.</div></div><div><h3>Method</h3><div>We used a cross-sectional study design, incorporating both descriptive analyses of chronic HBV carriers and analytical assays for rs3077 genotyping. The study included 48 melanoderma subjects with chronic HBV from the hepato-gastroenterology department of CNHU Hospital. These were matched by age and sex with 49 HBV-negative control subjects, selected from blood donors at the Atlantic-Littoral section of the Blood Donor Agency (ANTS). Both cases and controls underwent RT-PCR genotyping.</div></div><div><h3>Results</h3><div>The average age of chronic HBV carriers was 41.21±12.34 years, with the most prevalent age group being 31 to 43 years, accounting for 33.33% of the population. Considering potential transmission modes, the T allele was identified as a protective factor in the dominant model (Odds Ratio [OR] 0.046; 95% Confidence Interval [CI] 0.005 - 0.136). Conversely, the C allele was found to be a risk factor in both recessive (OR 47.162; 95% CI 6.754 - 203.063) and codominant models (OR 49.782; 95% CI 7.218 - 213.609).</div></div><div><h3>Conclusion</h3><div>This study reveals that the C and T alleles of rs3077 have distinct roles in chronic hepatitis B virus carriage among individuals in Cotonou. Specifically, the C allele seems to be a risk factor, while the T allele appears to confer a protective effect. This finding emphasizes the importance of host genetic variation in HBV susceptibility and provides valuable insights for future research and potential targeted healthcare strategies in regions with high HBV prevalence.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"28 ","pages":"Article e02628"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancements in seasonal rainfall forecasting: A seasonal auto-regressive integrated moving average model with outlier adjustments for Ghana's Western Region
IF 2.7
Scientific African Pub Date : 2025-03-05 DOI: 10.1016/j.sciaf.2025.e02632
Francis Ayiah-Mensah, Senyefia Bosson-Amedenu, Emmanuel Mensah Baah, John Awuah Addor
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