Scientific African最新文献

{"title":"Local and regional spatio-temporal characterization of rainfall and temperature across agro-ecological zones and seasons in the lake Hayk and Ardibo catchment, Ethiopia","authors":"Mulugeta Fiseha Abebe ,&nbsp;Tibebu Kassawmar ,&nbsp;Abel Mesele Tsegaye ,&nbsp;Jerbaw Tiruneh Abejehu ,&nbsp;Nega Kesete Kassie","doi":"10.1016/j.sciaf.2026.e03274","DOIUrl":"10.1016/j.sciaf.2026.e03274","url":null,"abstract":"<div><div>Understanding local and regional climate trends is essential for effective planning and resource management in the context of climate change. This study evaluates and characterizes the spatio-temporal variability and trends of rainfall and temperature across agro-ecological zones (AEZs) and seasons in the Lake Ardibo and Hayk catchment from 1960 to 2021. We analyzed data from 36 stations across eight AEZs to assess climate conditions at local and regional level. Using the MM-Kendall test through R packages using high-resolution WorldClim, we focused on trend, coefficients of variation (CV), and standardized rainfall anomaly (SRA) for each station and AEZ. The results reveal significant differences in climate elements, highlighting unique patterns among AEZs and stations. Rainfall demonstrates an increasing trend in both annual and during FMAM and JJAS season<em>s</em>, with rates ranging from 0.15 mm/year to 1.72 mm/year. In contrast, ONDJ season exhibits a declining trend at a rate of -0.08 mm/year. Temperature analysis shows that the mean annual maximum temperature (Tmax) ranges from 19.11 °C to 31.30 °C, while the mean annual minimum temperature (Tmin) ranges from 6.82 °C to 15.37 °C. Both Tmax and Tmin are increasing across AEZs, accompanied by significant seasonal and annual variability. These climatic changes have led to shifting boundaries of AEZs, which may impact agricultural productivity, water resource availability, and ecosystem sustainability. This research underscores the importance of integrating remote sensing and GIS approaches with high-resolution WorldClim data to examine climate dynamics in medium-sized catchments. It enhances our understanding of Ethiopian climate dynamics and provides valuable information for environmental management, policy-making, and climate change adaptation planning.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03274"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147395301","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}

{"title":"Assessing groundwater and climate susceptibility in Masgeredo-Bulal catchment, Ethiopia","authors":"Amenti Merga Tafesa ,&nbsp;Tenalem Ayenew ,&nbsp;Shankar Karuppannan","doi":"10.1016/j.sciaf.2025.e03112","DOIUrl":"10.1016/j.sciaf.2025.e03112","url":null,"abstract":"<div><div>Due to recurrent droughts and a lack of surface and groundwater resources, Southern Ethiopia's semi-arid region of the Borena zone faces a serious water shortage. This study addresses water scarcity in Southern Ethiopia's Borena zone, focusing on the Masgeredo-Bulal catchment, utilizing Geographical Information System (GIS), Remote Sensing, and climate modeling. This research combines multi-criteria groundwater assessment using eight thematic layers with future climate projections under Representative Concentration Pathway (RCP) 4.5 and 8.5 scenarios. Analytical Hierarchy Process (AHP) was applied in ArcGIS 10.8 to delineate groundwater potential zone (GWPZ), while Coordinated Regional Climate Downscaling Experiment (CORDEX) Africa regional climate models were used to project future temperature and precipitation trends. The finding reveals that 51.6 % of the Masgeredo-Bulal catchment has good groundwater potential, 47.47 % is moderate, 0.69 % is very good, and 0.22 % is poor. The southern and southwestern regions exhibit superior potential compared to the north and east, with geology and rainfall identified as crucial factors. Under Representative Concentration Pathway RCP 4.5 and 8.5, future climate projections show a logical increase in temperature and reduced precipitation compared to the baseline. Mean monthly precipitation is expected to decrease by 2.82 mm and 2.9 mm, while temperatures could rise by 22.9 °C and 23.19 °C, respectively. The combined groundwater–climate approach in this offers new insights for sustainable water management and climate adaptation strategies, providing vital information for policymakers and resource planners in the region. Further, research and development initiatives are recommended to enhance resilience and adaptability to climate change impacts on water availability in the region.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03112"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683071","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}

{"title":"Recent advances in IoT-driven crop monitoring and precision irrigation: Technologies, models, and future challenges","authors":"Mohamed Elhoseny ,&nbsp;Khadija Jahid ,&nbsp;Rachid Latif ,&nbsp;Amine Saddik ,&nbsp;Reem Atassi","doi":"10.1016/j.sciaf.2026.e03222","DOIUrl":"10.1016/j.sciaf.2026.e03222","url":null,"abstract":"<div><div>The application of Internet of Things (IoT) technologies to agriculture is converting traditional decision-making models from being retrospective and subjective to real-time and data-driven. This paper provides an in-depth and structured review of recent developments in the Verizon Smart Crop systems for precision irrigation and crop monitoring, highlighting the importance of wireless communication protocols, sensor networks, and artificial intelligence (AI) for early intervention monitoring as a proactive, adaptive approach to changing field conditions. It also explores mathematical modeling approaches and vegetation indices, to inform irrigation scheduling and crop stress detection. A tiered system architecture framework has been developed, and case studies illustrate how these technologies can address resource usage and improve yield outcomes. The review also comments on some of the challenges such as interoperability, data overload and cost, and suggests future research directions that would improve sustainability, scalability and efficiency of smart agriculture.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03222"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188186","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}

{"title":"Tracing wildlife crime: A retrospective analysis of forensic case files from the government chemist laboratory authority, Tanzania","authors":"Ally O Kanenda ,&nbsp;Leticia N Waitara ,&nbsp;Daud J Ngasa ,&nbsp;Sosthenes R Kusekwa ,&nbsp;Nsanya J Sote ,&nbsp;Abdilahi H Kiula ,&nbsp;Fidelis C Bugoye ,&nbsp;Fidelice M S Mafumiko","doi":"10.1016/j.sciaf.2026.e03247","DOIUrl":"10.1016/j.sciaf.2026.e03247","url":null,"abstract":"<div><div>Tanzania, a global biodiversity hotspot, harbours approximately 20% of Africa’s large mammal population and plays a critical role in regional and international wildlife conservation. However, Tanzania experiences persistent threats from wildlife crime, including poaching and illegal trafficking of protected wildlife species. This study presents the first comprehensive retrospective assessment of wildlife forensic case files handled by the Government Chemist Laboratory Authority (GCLA) between 2013 and 2022. A total of 75 case files and 280 associated samples were analysed to identify trends in sample types, regional origins, investigative priorities, and the effectiveness of forensic methods employed. Tissue samples from wildlife species were the most frequently received, with the Arusha region contributing the highest number of submissions. The majority of forensic inquiries from the law enforcement agents focused on species identification (75 inquiries) and classification (61), while species individualisation (18) and origin determination (2) were less commonly inquired. Among the analytical methods used, Deoxyribonucleic Acid (DNA) Sanger sequencing was found to be the most effective for classification and species identification, while traditional methods, including precipitin testing and morphological or anatomical analysis, showed scope limitations. Despite the growing application of forensic science in wildlife crime investigations, the current study identified gaps in sample submission rates and the use of advanced methods in wildlife forensics analysis. To enhance the effectiveness of wildlife forensic services in Tanzania, the study recommends strengthening analytical capacity, expanding molecular approaches for individualisation and provenance analysis, and promoting greater collaboration among enforcement, conservation, and forensic institutions.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03247"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188269","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}

{"title":"Conscious or unconscious digitalised credit decisions? An application of the dual-system theory to agricultural finance and welfare","authors":"Mohammed Tanko,&nbsp;Awal Fuseini","doi":"10.1016/j.sciaf.2026.e03186","DOIUrl":"10.1016/j.sciaf.2026.e03186","url":null,"abstract":"<div><div>There are two systems according to the dual-system theory that influence human decision-making processes in psychology classified as system one and system two. These systems impact human cognition and behaviour and results in actions that are either unconsciously or consciously taken. In the first system, decisions are not the results of deliberate reasoning but default and often intuitive, offering quick but not rational and consistent results. Alternatively, the second system is controlled and deliberate and as such dominates the default system under time sufficiency. Despite the several initiatives to make credit available to farmers, commercial banks consider the agricultural sector risky and informal, with a high cost of holding capital. This result in farmers depending on costly loans from informal sectors that aggravate their debt situations, and restrict their ability to invest in productivity-enhancing inputs. Digitalized microcredit offers farmers alternatives and broad possibilities to access credit with improved efficiency and capable of reaching several underserved rural farming communities. This study therefore intends to examine the effects of digitalized credit on the welfare of farmers using ordinary least square approach and corroborated with Propensity Score Matching (PSM) as a robustness check. The findings indicate that digital financial services increased the income and welfare of rural households, as it provided an accessible and more formalized means of financial support. The research also confirmed the dual-system theory posits that deliberate and conscious decisions, the results of system two lead to reasonable and beneficial outcomes as shown by the welfare indicator in the treatment effects analysis.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03186"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976905","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}

{"title":"Digital addiction and emotional exhaustion as mediators between problematic internet use and mental well-being in university students","authors":"David Adedia ,&nbsp;Kennedy Diema Konlan ,&nbsp;Delight Tsogbe ,&nbsp;Nuworza Kugbey ,&nbsp;Elvis Reindolf Kale ,&nbsp;Vincent Uwumboriyhie Gmayinaam ,&nbsp;Judith Akworkor Anaman-Torgbor ,&nbsp;Martin Amogre Ayanore","doi":"10.1016/j.sciaf.2025.e03151","DOIUrl":"10.1016/j.sciaf.2025.e03151","url":null,"abstract":"<div><h3>Background</h3><div>The increasing reliance on digital technology has raised concerns about its impact on mental health and well-being, particularly among university students. Problematic internet use, digital addiction, and emotional exhaustion have emerged as key factors influencing students' psychological well-being. Despite established associations between excessive internet use and addictive behaviors, the mechanisms through which it influences mental health remain insufficiently elucidated. This study investigated the relationship between problematic internet use and mental well-being, with a focus on whether digital addiction and emotional exhaustion mediate this relationship.</div></div><div><h3>Methods</h3><div>A cross-sectional survey design was used, involving 815 students from three tertiary institutions in Ghana. Standardized and validated scales were used to measure mental well-being, emotional exhaustion, digital addiction, and problematic internet use. Statistical analyses, including correlation and confirmatory factor analyses were used to determine the correlations, reliability and validity of the scales. Structural equation modelling was employed to ascertain the direct and mediation effects on mental well-being.</div></div><div><h3>Results</h3><div>One out of every three students (35%) reported problematic internet use. Bivariate results showed that mental well-being was negatively correlated with emotional exhaustion (-0.25, <em>p</em> &lt; 0.001), digital addiction (-0.21, <em>p</em> &lt; 0.001), and problematic internet use (-0.36, <em>p</em> &lt; 0.001). Mediation results showed emotional exhaustion as a significant mediator (β = -0.07, <em>p</em> &lt; 0.001), while digital addiction did not significantly mediate the relationship (β = -0.04, <em>p</em> = 0.094), suggesting that internet overuse primarily becomes harmful when it leads to stress and exhaustion rather than addiction itself.</div></div><div><h3>Conclusion</h3><div>These findings reveal that problematic internet use harms mental well-being through emotional exhaustion, underscoring the need for joint action by university management and mental health/counselling units to enhance awareness campaigns focused on addressing problematic internet use among students.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03151"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924767","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}

{"title":"Pedagogical integration of information communication and technologies in rural mathematics education: Enhancing motivation and equity in low-resource contexts","authors":"Hajar Zoubir ,&nbsp;Abderrahmane Ben Rherbal ,&nbsp;Youssef Sefri ,&nbsp;Abdelhak Chakli","doi":"10.1016/j.sciaf.2025.e03171","DOIUrl":"10.1016/j.sciaf.2025.e03171","url":null,"abstract":"<div><div>Despite national strategies to digitize education, the gap between administrative policy and classroom reality remains significant, particularly regarding the impact of digital tools on equity in underserved settings. This study addresses the urgent need to evaluate how technology integration affects student outcomes in resource-constrained environments. Guided by Viau’s motivational framework and Rabardel’s instrumental approach, we employed a mixed-methods design to investigate the integration of multimedia tools, specifically Scratch and GeoGebra, among fourth-grade students in rural Morocco. Data were collected through surveys with teachers (<em>n</em> = 132) and students (<em>n</em> = 148), followed by a comparative intervention involving control and experimental groups. The results demonstrate that utilizing technology as a pedagogical instrument, rather than a mere delivery mechanism, significantly enhances student engagement, cognitive autonomy, and perseverance compared to traditional instruction. Specifically, the intervention group showed statistically significant gains in perceived choice and performance. Distinct from prior studies that focus solely on infrastructure access, this research provides rare empirical evidence from North Africa demonstrating that well-designed interactive learning environments function as equity levers. Crucially, we show that digital tools reduce the performance gap between high- and low-achieving students in resource-constrained rural settings.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03171"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924883","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}

{"title":"Sustainability-Performance Integration in Start-ups: A Structural Equation Modeling Analysis from Algeria","authors":"Ismail Bengana ,&nbsp;Khaled Mili ,&nbsp;Mekimah Sabri ,&nbsp;Zighed Rahma","doi":"10.1016/j.sciaf.2025.e03173","DOIUrl":"10.1016/j.sciaf.2025.e03173","url":null,"abstract":"<div><div>This study examines sustainability-performance relationships in Algerian start-ups, addressing a critical gap in emerging market entrepreneurship literature where the mechanisms through which sustainability dimensions translate into organizational performance remain inadequately theorized and empirically underexplored. The research develops and tests an integrated structural model examining how economic, social, and environmental sustainability dimensions affect organizational performance through the mediating roles of governance, commitment, and innovation. The theoretical framework integrates Triple Bottom Line theory, Resource-Based View, and Institutional theory to explain these relationships in contexts characterized by institutional voids and resource constraints typical of emerging economies. Using covariance-based structural equation modeling (CB-SEM) with data from 255 Algerian start-ups collected via structured questionnaire (23 items, five-point Likert scale), the study assessed measurement model validity through confirmatory factor analysis before testing hypothesized relationships. Results demonstrate moderate to moderately-high sustainability implementation levels (M=3.19-3.42 on five-point scales) and reveal innovation as the strongest performance predictor (β=0.484, p&lt;0.001), followed by governance (β=0.283, p&lt;0.001) and commitment (β=0.132, p=0.011), with significant interrelationships among mediators (r=0.591-0.860). These findings indicate that in resource-constrained emerging markets, internal innovation capabilities outweigh formal governance structures and organizational commitment in translating sustainability intentions into performance outcomes. The study contributes theoretically by demonstrating boundary conditions for Western-derived sustainability theories in institutional void contexts, and methodologically by providing validated measurement instruments for emerging market research. Practically, results suggest policymakers should prioritize innovation support mechanisms (technology access programs, R&amp;D incentives, research partnerships) over compliance-focused interventions, while entrepreneurs should invest in innovation capacity development as the primary lever for sustainability-driven performance enhancement.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03173"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924989","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}

{"title":"Structure-guided identification of novel natural antidiabetic inhibitors: Targeting glucoamylase from saccharomycopsis fibuligera","authors":"Oussama Abchir ,&nbsp;Bouchra Rossafi ,&nbsp;Rodouan Touti ,&nbsp;Imane Yamari ,&nbsp;Kasim Sakran Abass ,&nbsp;Abdelouahid Samadi ,&nbsp;Samir Chtita","doi":"10.1016/j.sciaf.2025.e03145","DOIUrl":"10.1016/j.sciaf.2025.e03145","url":null,"abstract":"<div><div>Diabetes mellitus, a major metabolic disorder, affected approximately 537 million individuals worldwide in 2021, according to the International Diabetes Federation. The disease is associated with severe complications that impair various organs and significantly reduce patients' quality of life. Current pharmacological treatments for diabetes are often associated with adverse effects, including abdominal discomfort, bloating, and diarrhea. In previous studies, 52 medicinal plants from 22 plant families, including Apiaceae, Asteraceae, Fabaceae, and Lamiaceae, were identified as potential treatments for diabetes and other diseases. In the present study, we aimed to investigate the phytochemical composition of these plants, resulting in a collection of approximately 933 unique compounds after removing duplicates. Rigorous filtering based on Lipinski's Rule of Five yielded 844 compounds that met key drug-likeness criteria. To assess their therapeutic potential, molecular docking studies were performed to analyze the binding modes of these compounds with the Glucoamylase receptor, focusing on key interactions with the receptor’s active site. Acarbose, a well-established alpha-glucosidase inhibitor, was used as a reference drug to validate the docking protocol and benchmark the results. Subsequently, molecular dynamics simulations were conducted for the top four selected compounds and Acarbose to evaluate the stability and persistence of the receptor-ligand interactions over time. This in silico study offers valuable insights into the therapeutic potential of plant-derived compounds and supports the development of optimized glucoamylase inhibitors for diabetes management.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03145"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145925111","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}

{"title":"Computational insights into Croton species as sources of CDK4/6 inhibitors for cancer therapy","authors":"Samphelix O. Obende ,&nbsp;Charles O. Ochieng ,&nbsp;Emmanuel A. Shikanga ,&nbsp;Wilberforce Ndarawit ,&nbsp;Njogu M. Kimani","doi":"10.1016/j.sciaf.2025.e03174","DOIUrl":"10.1016/j.sciaf.2025.e03174","url":null,"abstract":"<div><div>The search for new anticancer agents has led to the exploration of various botanical resources, with the genus Croton emerging as a promising source of bioactive compounds. CDK4/6 are key cell cycle regulators linked to cancer pathogenesis, and their inhibition has been shown to be effective in treating various cancer cases. Although inhibitors like ribociclib and abemaciclib have demonstrated therapeutic effectiveness, resistance to these drugs invariably arises, requiring the investigation of alternative therapeutic options. In this study, computational screening techniques were used to identify potential dual inhibitors of CDK4/6, aiming to expedite the discovery of alternative anticancer therapeutics from Croton phytochemical data. Prior to structure-based virtual screening, phytochemicals from Croton Spp were identified by an in-depth review of the literature. The chemical space of these phytochemicals was analyzed in comparison with FDA cancer compounds. The resultant druglike molecules were docked into CDK4 (7SJ3) and 6 (5L2T) receptors. The high-ranking ligands were subjected to molecular simulations and HOMO-LUMO energy gap assessments. In chemical space analysis, 56 out of 900 Croton compounds were found to have similar properties to FDA anticancer agents. Molecular docking studies of these 56 compounds revealed that 26 compounds showed high docking scores with CDK6, similar to ribociclib, and six compounds with CDK4, similar to abemaciclib. Cracroson F (<strong>1</strong>), Crotocascarin K (<strong>2</strong>), Cajucarinolide (<strong>3</strong>), and Isocajucarinolide (<strong>4</strong>) were predicted as the dual inhibitors showing docking scores for CDK4 (-11, -11, -10.7, and -10.6 kcalmol^-1, respectively) and CDK6 (-9.1, -9.4, -8.4, and -9.6 kcalmol^-1, respectively). Compounds <strong>1</strong> and <strong>3</strong> showed stability in 200 ns MD simulations, generating hydrophobic, ionic, and hydrogen interactions with an ideal radius of gyration and root mean square deviations and fluctuations (RMSD and RMSF). DFT calculation revealed that <strong>3</strong> (ΔE = 3.522 eV) was more reactive than <strong>1</strong> (ΔE = 3.648 eV) due to its HOMO-LUMO gap, though both were inferior to the standards. These two compounds were predicted to have acceptable pharmacokinetics, off-target, and toxicity profiles, indicating their potential as drug candidates. The in silico study thus identified promising Croton-lead compounds with potential anticancer properties, requiring further experimental (in vitro and in vivo) evaluation.</div></div>","PeriodicalId":21690,"journal":{"name":"Scientific African","volume":"31 ","pages":"Article e03174"},"PeriodicalIF":3.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146037390","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}