Scientific African最新文献

{"title":"Application of change detection techniques driven by expert opinions for small-area studies in developing countries","authors":"Tanaka A. Mbendana ,&nbsp;Anesu D. Gumbo ,&nbsp;Simbarashe Jombo ,&nbsp;Ephias Mugari ,&nbsp;Evison Kapangaziwiri","doi":"10.1016/j.sciaf.2025.e02594","DOIUrl":"10.1016/j.sciaf.2025.e02594","url":null,"abstract":"<div><div>Rapid urbanisation in developing countries, fuelled by population growth and rural-to-urban migration, poses significant challenges for service delivery in under-resourced municipalities. Dangamvura Township in Mutare, Zimbabwe, exemplifies this issue, potentially overwhelming the City of Mutare services. Resource limitations have hindered the quantification of these changes. This study assesses changes in land use and land cover (LULC) in Dangamvura Township, Mutare, Zimbabwe, between 2010 and 2022, using stakeholder-driven methods, Google Earth Pro (GEP) and machine learning in R. A four-tier methodology was applied integrating R and expert validation through GEP to classify and quantify changes in LULC. The analysis identified built-up areas, cropland, and bare land as the main LULC classes. The results from R showed that built-up areas expanded from 3.74 km² in 2010 to 8.64 km² in 2022, the bare land decreased from 3.10 km² to 1.42 km², and the cropland declined from 6.06 km² to 2.84 km². GEP assessments indicated an increase in built-up areas from 5.08 km² to 8.91 km², a reduction in bare land from 3.57 km² to 1.97 km², and a decrease in cropland from 4.25 km² to 2.02 km² over the same period. These findings highlight significant urban expansion and declining agricultural and undeveloped land. The disparities between the R statistical software and the GEP results underscore the importance of integrating expert opinions to validate classifications, particularly in small-area studies with spatial heterogeneity. The results provide valuable insights for urban planning and decision-making, highlighting the need for adaptive strategies to manage urban growth and infrastructure development. The tiered methodology demonstrates the potential of combining advanced remote sensing tools with local knowledge to achieve robust LULC assessments in resource-limited settings, guiding sustainable urban planning and informing policy interventions to address challenges associated with rapid urbanisation in resource-limited countries.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02594"},"PeriodicalIF":2.7,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454803","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}

{"title":"War and its impact on farmers' crop and livestock productivity in south Wollo zone, northeastern Ethiopia","authors":"Aleme Asresie ,&nbsp;Ali Seid ,&nbsp;Seid Hussen Muhie ,&nbsp;Seid Hassen","doi":"10.1016/j.sciaf.2025.e02589","DOIUrl":"10.1016/j.sciaf.2025.e02589","url":null,"abstract":"<div><div>This study was conducted on the impact of war on crop and livestock productivity in selected war-affected districts of south Wollo zone. Data were gathered through questionnaires, key informant interviews and focus group discussions, utilizing both primary and secondary sources. Quantitative data were analyzed using SAS software, while qualitative data were analyzed descriptively and narratively. The findings show that the war has had a devastating effect on agriculture, resulting in significant losses in crop yields and revenues, as well as a reduction in livestock numbers. Specifically, 28.5–33 % of smallholder farmers suffered a loss of over 83 % of their expected yield of major cereals, and 20–28 % lost over 94 % of their revenue from cash crops. Livestock were also severely impacted, with cattle being the most affected, accounting for 151.9 TLU. The war has significantly reduced livestock populations due to theft, slaughter, and casualties from artillery strikes. An overwhelming 96 % of respondents emphasize the urgent need for targeted assistance to sustain their livelihoods. Although food aid remains the primary form of support provided by stakeholders in the affected regions, it falls short of addressing the widespread demand. To effectively mitigate these challenges, it is imperative to deliver immediate agricultural interventions, expand food aid programs, establish financial support systems, and advocate for peace and security measures. Furthermore, the formulation of long-term agricultural development strategies, coupled with robust monitoring and evaluation frameworks, will be critical. Strategic collaboration with non-governmental and international organizations is essential to enable smallholder farmers to recover and sustain their crops and livestock, thereby enhancing food security in war-affected regions.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02589"},"PeriodicalIF":2.7,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422584","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}

{"title":"Hospital wastewater treatment using integrated sono-photo-fenton process: Experimental design through RSM","authors":"Meseret Endalew ,&nbsp;Esayas Alemayehu ,&nbsp;Perumal Asaithambi","doi":"10.1016/j.sciaf.2025.e02585","DOIUrl":"10.1016/j.sciaf.2025.e02585","url":null,"abstract":"<div><div>The present study investigates the degradation capacity of hospital wastewater removal (chemical oxygen demand and phosphate) percentage using a hybrid process of <strong>sono-photo-Fenton (</strong>US/UV/Fenton) and evaluating the influence of reaction time, pH, hydrogen per oxide (H₂O₂), initial chemical oxygen demand (COD) and phosphate concentration, and discussed statistical models. This study examines the effect of four independent factors and their interactions on process response using a second order-polynomial model and a statistical experiment design with 48 runs for each experiment. The significance of (<em>P</em> &lt; 0.0001) indicates the significance of the model and the interaction of variables on the response performance of COD and phosphate removal. The significance of the quadratic model equation was performed using value of R² = 0.9988 and R² = 0.9998 for COD and phosphate removal. The results showed a maximum removal percentage of 94.5 % for COD and 99.15 % for phosphate at a similar pH-9, reaction time-50 min, H₂O₂ -20 mg/L_, and an initial COD concentration of -205 mg/L and phosphate concentration of -3.45 mg/L. In both experiments, pH is an important factor among the four independent factors (pH, time, H₂O₂, initial COD and phosphate concentration), which has the potential to directly impact the removal of COD and phosphate. On the other hand, compared to the initial COD, a superior elimination ratio was at low H₂O₂ (10 mg/L). The US/UV/Fenton process reduces the amount of ferrous ions exist in the treated water. The US/UV/Fenton process has generally produced encouraging outcomes, and as a result, regarded as a viable treatment method for hospital wastewater.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02585"},"PeriodicalIF":2.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422067","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}

{"title":"The use of coconut shell ash as partial replacement of cement to improve the thermal properties of concrete and waste management sustainability in Nigeria and Africa, for radiation shielding application","authors":"U. Rilwan ,&nbsp;M.A. Abdulazeez ,&nbsp;I. Maina ,&nbsp;O.W. Olasoji ,&nbsp;A. El-Taher ,&nbsp;Islam G. Alhindawy ,&nbsp;K.A. Mahmoud ,&nbsp;M.I. Sayyed ,&nbsp;Mohamed Elsafi ,&nbsp;M. Rashad ,&nbsp;Yasser Maghrbi","doi":"10.1016/j.sciaf.2025.e02578","DOIUrl":"10.1016/j.sciaf.2025.e02578","url":null,"abstract":"<div><div>This research partially replaced cement with coconut shell ash (CSA) to produce seven concrete samples, assessing the influence on the thermal, structural and mechanical characteristics of the resulting concrete for radiation shielding application. 3.8 kg of coconut shell was washed, dried and burnt (in muffle furnace at 200 °C) into ashes of total weight 0.38 kg at 10% yield/weight. The resulting ash was pulverized and sieved to fine powder. The control concrete (cement, sand and granite) was mixed with varying percentages of ordinary-CSA and barite-lime-modified-CSA to form seven samples. The sample's densities which ranged between 2.2 g/cm³ to 2.40 g/cm³ were obtained by Archimedes’ method. The XRD results revealed the presence of albite, muscovite, quartz and orthoclase feldspar across our samples. A good thermal stability against high temperatures, as well as improved mechanical strength were noticed with increased barite-lime-modified-CSA. Compared to the control concrete CSA-0.00, the LAC of CSA-0.05, CSA-0.10, and CSA-0.15 decreases by 4.43%, 5.28%, and 3.03% at γ-ray energies of 0.081 MeV, while that of CSA-CH-B-0.05, CSA-CH-B-0.10, and CSA-CH-B-0.15 respectively increased by 8.77%, 10.20%, and 14.65% at the same γ-ray energies. Sample CSA-0.15 and CSA-CH-B-0.15 showed greatest waste-management (WM%) with 90% cost-effectiveness. Therefore, the introduction of barite-lime-modified-CSA to concrete matrix increases the mechanical, thermal and γ-ray shielding properties of the concrete materials, with CSA-CH-B-0.15 as optimum combination for concrete in shielding application, indicating that barite-modernized-CSA additive have positive impact on the γ-ray shielding performance of concrete compared to ordinary CSA additive.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02578"},"PeriodicalIF":2.7,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422585","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}

{"title":"Spatio-temporal dynamics, drivers of wildfire occurrence and distribution in the northern savannah ecological zone of Ghana","authors":"Aline Mwintome Naawa ,&nbsp;Fousseni Folega ,&nbsp;Amos Kobo-bah ,&nbsp;Yvonne Walz ,&nbsp;Kperkouma Wala ,&nbsp;Amos Amponsah","doi":"10.1016/j.sciaf.2025.e02580","DOIUrl":"10.1016/j.sciaf.2025.e02580","url":null,"abstract":"<div><div>This study rigorously investigates the spatio-temporal dynamics and determinants of wildfire occurrences in the Northern Savannah Ecological Zone of Ghana from 2000 to 2021, leveraging remote sensing data and advanced statistical analyses. The study utilized Collection 6 MODIS datasets, including MCD64A1 for burned area mapping and MCD14DL for active fire locations. Temporal trends were analyzed using the Mann-Kendall test and Sen's slope estimator to detect significant changes. Over the 21 years, 432,153 active fires were recorded, resulting in a total burn area of 515,822.7 km². The peak wildfire occurrences were noted in 2011, with 28,943 fires, and in 2002, with a burn area of 33,883.4 km². Spatial analysis revealed concentrated wildfire hotspots in the northwest-central regions, while cold spots were primarily located in the Upper East region. Temporal trend analysis using the Mann-Kendall test indicated a significant decreasing trend in burn area over time (<em>p</em> = 0.015). Key drivers of wildfire occurrence and distribution were identified through Geographically Weighted Regression (GWR), which highlighted distance to settlements, slope, distance to roads, maximum temperature, and elevation as significant factors. The GWR model exhibited an improved fit over the global Ordinary Least Squares (OLS) model, as evidenced by a lower Akaike Information Criterion corrected (AICc) value, indicating enhanced model performance. The observed spatial heterogeneity in wildfire patterns underscores the necessity for localized modeling approaches and targeted management strategies. This study offers critical insights for the formulation of effective wildfire management policies in Ghana's Savannah zone, emphasizing the need to consider both environmental and anthropogenic factors in wildfire prevention and mitigation efforts.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02580"},"PeriodicalIF":2.7,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422066","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}

{"title":"Nexus between stock market and agricultural sector development in Nigeria and South Africa: Accounting for three-regime marginal-threshold effects","authors":"Charles O. Manasseh ,&nbsp;Chine Sp Logan ,&nbsp;Ogochukwu C. Okanya ,&nbsp;Kenechukwu K. Ede ,&nbsp;Odidi C.O. Onuselogu ,&nbsp;Chinwe Olelewe ,&nbsp;Ifeoma C. Nwakoby","doi":"10.1016/j.sciaf.2025.e02575","DOIUrl":"10.1016/j.sciaf.2025.e02575","url":null,"abstract":"<div><div>This study empirically examined the link between stock market development and agricultural sector development, accounting for the effect of a three-regime marginal and threshold of interest rate, inflation and exchange rates. The study utilized annual time series data, focusing on two African countries – Nigeria and South Africa for the period 1980 to 2021. The dynamic Autoregressive Distributed Lag (ARDL) estimation technique was adopted as a baseline model while FM-OLS was employed for the sensitivity test. The findings from the baseline model revealed a significant long-run positive association between market capitalization, all-share index, value of traded shares, and agricultural development. However, the turnover ratio was insignificant but exhibited a significant long-run relationship when the interaction effects of interest rate, inflation, and exchange rate were controlled for. The FM-OLS sensitivity estimates were found to coincide with the earlier results. At the country level, evidence from the baseline and sensitivity model revealed that market capitalization and the all-share index in Nigeria have a significant positive link with agricultural development, whereas all measures of stock market development in SA were positively and significantly related to agricultural development. The study recommends policies that promote stock market development to boost its contribution to agricultural development. In addition, credible measures to manage the three regimes' adverse impact on agricultural development should be developed to prevent its damaging effects on stock market development and its influence on agricultural development.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02575"},"PeriodicalIF":2.7,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429017","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}

{"title":"Geological controls on gold mineralization of the Nyangboué prospect in the southern part of the Boundiali-Syama belt, northwest Ivory Coast","authors":"Lipoublida Djagre,&nbsp;Kio Ali,&nbsp;Louis Kouassi Kra,&nbsp;Barthélémy Gnammytchet Koffi","doi":"10.1016/j.sciaf.2025.e02584","DOIUrl":"10.1016/j.sciaf.2025.e02584","url":null,"abstract":"<div><div>The Nyangboué gold prospect, situated in the Boundiali-Syama belt in northwest Ivory Coast, presents a significant target for understanding gold mineralization in West Africa. Through detailed mapping, petrography, and geochemical analyses of host rocks, this study investigates the geological factors controlling gold mineralization in the area. The result show that gold is hosted within a metasedimentary sequence, comprising meta-conglomerates, meta-graywackes, schists, and slates, which have undergone greenschist facies metamorphism. Three main deformation events influence the mineralization: D₁ compressive tectonics linked to S₁ schistosity, D₂ transcurrent deformation characterized by faulting and shear zones associated with S₂ schistosity, and D₃ transcurrent deformation producing schistose layering with S₃ schistosity. Gold and associated metallic minerals, including sulfides (e.g., pyrite, chalcopyrite, pyrrhotite, arsenopyrite, and galena) and oxides (e.g., magnetite and hematite), are found within quartz-carbonate veins and disseminated throughout the host rocks. Gold mineralization correlates with the D₂ deformation phase, with structural controls trending N-S to NNE-SSW. High-grade disseminated mineralization is most prevalent in slates and schists, whereas vein-hosted mineralization dominates in meta-conglomerates. This study enhances understanding of the structural and lithological controls on gold mineralization in the Boundiali-Syama belt, with implications for regional exploration strategies.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02584"},"PeriodicalIF":2.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429018","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}

{"title":"Antimalarial activity of the aqueous extract and anthraquinones from the root of Senna siamea (LAM) H.S. Irwin & Barneby (Fabaceae).","authors":"Reinhard Isaac Nketia ,&nbsp;Nkrumah Desmond ,&nbsp;Arnold Donkor Forkuo ,&nbsp;Evelyn Asante-Kwatia ,&nbsp;Felix Kwame Zoiku ,&nbsp;Merlin Lincoln Kwao Mensah ,&nbsp;Gustav Komlaga","doi":"10.1016/j.sciaf.2025.e02579","DOIUrl":"10.1016/j.sciaf.2025.e02579","url":null,"abstract":"<div><div>This study evaluated the antimalarial properties of the aqueous extract of the root of <em>S. siamea</em> in mice and identified two bioactive phytoconstituents from the antimalarial ethyl acetate fraction. The extract demonstrated interesting antimalarial activity with significant (<em>P</em> &lt; 0.5) percentage parasitaemia suppression of 88.02±1.46 % and clearance of 80.96±3.25 % in <em>Plasmodium beighei</em>-infected mice. The ED₅₀ values were 194.98 for the suppressive assay and 100 mg/kg for the curative assay. LD₅₀ was above 2000 mg/kg. Two anthraquinones, Chrysophanol and Cassiamin A, with remarkable antimalarial activity were isolated. These compounds at 10 mg/kg body weight produced % parasitaemia clearance of 68.90 % by Chrysophanol and 70.25 % by Cassiamin A in Rane's curative assay. Mice treated with both compounds recorded a higher haem concentration relative to the untreated group, suggesting haem polymerization as a possible mechanism of antiplasmodial action. The aqueous root extract of <em>S. siamea</em> possesses antimalarial properties. Chrysophanol and Cassiamin A from the ethyl acetate fraction showed antimalarial activity. The compounds act by preventing the conversion of parasite-toxic haem into inactive haemozoin within parasitized erythrocytes. The antimalarial activity of the aqueous extract of <em>S. siamea</em> and Cassiamin A are reported for the first time. Our findings provide a rationale for the continued use of <em>S. siamea</em> root decoction in the traditional treatment of malaria in Ghana.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02579"},"PeriodicalIF":2.7,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395440","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}

{"title":"Assessing Trametes pini infection in Atlas cedar trees: Findings from acoustic tomography and biopolymer analysis","authors":"Wafae Moustaid ,&nbsp;Badr Satrani ,&nbsp;Saoussan Annemer ,&nbsp;Ikbal Zarguili ,&nbsp;Amine Ez-zoubi ,&nbsp;Taoufiq Saffaj ,&nbsp;Abdellah Farah","doi":"10.1016/j.sciaf.2025.e02576","DOIUrl":"10.1016/j.sciaf.2025.e02576","url":null,"abstract":"<div><div><em>Cedrus atlantica</em> Manetti is an Indigenous species of Moroccan Rif and the Middle Atlas represents 2.3 % of Morocco's forest cover and is highly prized for its wood quality. However, it is susceptible to fungal attacks, particularly by <em>Trametes pini</em> (M'jej), which causes rot and renders the wood unusable. This leads to significant financial losses, exceeding 30 %. The purpose of the study was to use Arbotom tomography equipment to measure the degree of <em>Trametes pini</em> infection to evaluate the health of the trees. To delineate changes in the affected biopolymers, morphological and elemental investigations were conducted using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) and infrared vibrational spectroscopy (IR). Furthermore, inductively coupled plasma spectrometry (ICP) analysis was employed to accurately quantify the mineral composition in the wood specimens. The results indicated a robust correlation between the visually observed degradation in tree parts and the degradation quantified through tomography. For samples from degraded trees, the accuracy rate was 100 %, emphasizing the impact of fungi on lignocellulosic materials by altering the cellulose content, which was 37.00 ± 1.41 % for healthy wood and 8.00 ± 3.26 % for infected wood. There was also a modification in the hemicellulose content, increasing from 15.67 ± 0.94 % for healthy wood to 62.00 ± 3.56 % for infected Atlas cedar wood. Additionally, there was a modification in the mineral content. This study unveils the parallels and distinctions in the chemical composition and morphological structure between cedar wood and its biowaste. These findings open avenues for prospective value-added applications in pertinent fields.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02576"},"PeriodicalIF":2.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422065","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}

{"title":"DockCADD: A streamlined in silico pipeline for the identification of potent ribosomal S6 Kinase 2 (RSK2) inhibitors","authors":"El Mehdi Karim ,&nbsp;Meriem Khedraoui ,&nbsp;Abdelkbir Errougui ,&nbsp;Yasir S. Raouf ,&nbsp;Abdelouahid Samadi ,&nbsp;Samir Chtita","doi":"10.1016/j.sciaf.2025.e02581","DOIUrl":"10.1016/j.sciaf.2025.e02581","url":null,"abstract":"<div><div>The search for innovative therapeutic strategies remains critical in addressing cancer, one of the leading global health challenges. Ribosomal S6 Kinase 2 (RSK2), a serine/threonine kinase, has emerged as a promising target for cancer therapy because it is implicated in oncogenic signaling. Herein, we developed an open-source computational pipeline, identified as DockCADD (available at <span><span>https://github.com/mehdikariim/DockCADD</span><svg><path></path></svg></span>), which enables the identification of potent RSK2 inhibitors by automated virtual screening, ADME-Tox profiling, and molecular dynamics (MD) simulations. Employing pyran derivatives as the scaffold, top-scoring inhibitors as identified by the pipeline showed scores ranging from -9.46 to -9.89 kcal/mol and binding free energies ranging from -53.731 to -55.193 kcal/mol. Ligands L1, L2 and L3 showed stable binding within the ATP-binding pocket, wherein the compounds undergo slight structural distortions with a favorable van der Waal's interaction. The ligand L3 has exhibited the highest MM-GBSA binding free energy (-55.193 kcal/mol), which so far presents the most promising candidate. These results have pointed out the use of DockCADD as an efficient tool for the fast and low-cost process of drug discovery; L1–L3 should be further validated experimentally for cancer therapy.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"27 ","pages":"Article e02581"},"PeriodicalIF":2.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376591","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}