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48 articles for “Structure-Activity Relationship”
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QSAR Modeling Techniques A Comprehensive Review of Tools and Best Practices
Abstract: Quantitative Structure–Activity Relationship (QSAR) modeling has become an essential tool in drug discovery, toxicity assessment, and environmental chemistry. By correlating chemical structure with biological activity or toxicity, QSAR enables the prediction of compound behavior without extensive experimental testing. This approach not only saves time and resources but also supports ethical practices by reducing reliance on animal studies. The evolution of QSAR from basic linear models to advanced machine learning and …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 56–63 Read article
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Association Between Smartphone Addiction and Functional Exercise Capacity in College Students
Abstract: Smartphone addiction has become increasingly prevalent among college students and is associated with various negative physical and psychological outcomes. Functional exercise capacity, a key indicator of physical fitness and health, may be adversely affected by excessive smartphone use due to sedentary behavior and reduced physical activity. This article examines the association between smartphone addiction and functional exercise capacity in college students by analyzing behavioral, psychological, physiological, and methodological perspectives. Evidence …
Published in International Journal of Orthopedic Nursing and Practices · Vol. 4, Issue 1, 2026 · pp. 28–51 Read article
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Impact of Information Technology Tools and AI on Supply Chain Management of Indian Automobile Industry
Abstract: This article aims to enhance the efficiency and effectiveness of the supply chain within the Indian automotive sector through the application of innovative information technology tools and artificial intelligence. To achieve this goal, the study focuses on three main objectives: identifying key driving factors through an extensive literature review, analyzing the interrelationships among these factors, and prioritizing them based on their importance. In today's competitive environment, customer satisfaction is paramount …
Published in Journal of Advances in Shell Programming · Vol. 11, Issue 2, 2024 · pp. 19–27 Read article
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Assessing the Socioeconomic Impacts of Land Tenure Systems Across Different Regions
Abstract: Land tenure systems are fundamental in shaping the socioeconomic structure and dynamics of communities across the globe. These systems, which define the legal and customary relationship between individuals, groups, and the land they own, use, or occupy, hold significant implications for economic development, social equity, and environmental sustainability. They determine how land resources are accessed, managed, and transferred, thereby influencing economic activities, wealth distribution, and community stability. This article provides …
Published in International Journal of Land · Vol. 2, Issue 1, 2025 · pp. 24–27 Read article
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Novel 1,3,4-Thiadiazole Derivatives: Design, Synthesis, Characterization and Anticancer Evaluation – A Review
Abstract: Cancer remains one of the leading causes of mortality worldwide despite significant advances in diagnosis and treatment. The clinical usefulness of many anticancer drugs is often restricted by toxicity, poor selectivity, and the emergence of drug resistance. These limitations have encouraged the search for novel heterocyclic compounds with improved therapeutic efficacy and safety. Among these, the 1,3,4-thiadiazole scaffold has gained considerable attention because of its favorable physicochemical characteristics, metabolic stability, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 · pp. 42–49 Read article
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To Find the Nucleotide and Protein Sequence of AMYLASE in Homo Sapiens in FASTA Format
Abstract: Comprehensive analysis of current enzymes with α-amylase activity (AAMY) belonging to family 13 of glycoside hydrolases (arrangements of 144 archaea, bacteria, and eukaryotes from different species of GH13; 87). Offers. This study aims to deepen our knowledge of the evolutionary molecular relationships between the sequences of the A and B domains, with a particular focus on the correlation between what is observed in structure and the evolution of proteins. A-domain …
Published in Research and Reviews : Journal of Computational Biology · Vol. 10, Issue 3, 2021 · pp. 13–15 Read article
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Chitosan-Based Polymer Coatings for Antimicrobial Catheter Surfaces
Abstract: Catheter-associated infections (CAIs) remain a major clinical challenge. Microbial adhesion and subsequent biofilm formation on catheter surfaces significantly reduce the effectiveness of antimicrobial therapy, resulting in prolonged hospitalization, increased healthcare costs, and higher patient morbidity. Consequently, the development of antimicrobial polymer coatings has emerged as an effective strategy for minimizing catheter-associated infections while improving device performance. Among the various biomaterials investigated, chitosan has attracted considerable attention owing to its intrinsic …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Social Media Usage Among Youth in Punjab: Platform Preferences, Usage Habits, and Academic Impact
Abstract: Background: The role of social media in daily life and communication activities continues to grow, especially among young people. Given the shift towards more social interaction and engagement online, it is important to look at the preferences of the platforms, their habits of usage, and how they relate with academic engagement. This research study analyzes the social media utilization patterns of youth residing in Punjab, India with the aim of …
Published in Journal of Communication Engineering & Systems · Vol. 15, Issue 2, 2025 · pp. 21–30 Read article
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Relationship Between Mental Health, Competitive Aggression and Anger Rumination with Regard to the Role of Mental Health of Martial Arts Athletes in Gilan Province
Abstract: Due to the phenomenon of championship in sports, athletes are always very thirsty to achieve the championship and go on the podium, and this factor can cause negative behaviors by athletes, one of which is competitive aggression. Therefore, the main purpose of this study is to investigate the relationship between mental health, competitive aggression and anger rumination with regard to the role of mental health of martial artists in Gilan …
Published in Recent Trends in Sports · Vol. 1, Issue 1, 2024 · pp. 1–10 Read article
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Pharmacodynamics and Drug–Receptor Interactions: Integrating PK/PD Modeling with Modern Drug Development
Abstract: Understanding drug action requires an integrated perspective of pharmacodynamics and pharmacokinetics, which together determine therapeutic efficacy and safety. This review provides a comprehensive overview of the mechanisms underlying drug action, with particular emphasis on drug–receptor interactions and their role in modulating physiological responses. Drugs exert their effects primarily through interactions with specific biological targets, including receptors, enzymes, ion channels, and transporters, resulting in a spectrum of desired and adverse outcomes. …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 · pp. 33–47 Read article
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Bird-Tree Associations and Co-occurrence Patterns in Delhi: Implications for Urban Ecological Restoration and Invasive Species Management
Abstract: Urban trees and birds are intertwined indicators of ecological resilience in cities. This study maps citywide bird-tree interactions in Delhi, India, hosting more than 300 avian species. The city was divided into hexagonal grids, and bird–tree data (506 interactions) were collected through field surveys across 131 sites using standardized 1-kilometre transects. Native keystone species, like ficus, supported the greatest bird diversity, while invasive Prosopis juliflora was widely used for perching …
Published in Research & Reviews : Journal of Ecology · Vol. 15, Issue 2, 2026 · pp. 1–23 Read article
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Integrated Computational and Bio-catalytic Transformations: DFT-Guided Mechanistic Insights, Machine Learning, and Nano-biocatalyst Engineering for Sustainable Catalysis
Abstract: Computational catalysis has emerged as a transformative scientific discipline that integrates quantum chemistry, molecular modeling, machine learning, and density functional theory (DFT) to understand catalytic mechanisms and design highly efficient catalytic systems for sustainable industrial applications. The increasing global demand for environmentally responsible chemical manufacturing has accelerated research on advanced catalytic materials including transition metal catalysts, metal–organic frameworks (MOFs), homogeneous catalysts, heterogeneous systems, and bimetallic catalysts involving nickel and iron. …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 2, 2026 · pp. 36–44 Read article
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Comparative Evaluation of the Pozzolanic Activity of Artificial Pozzolans: Steel Slag, Fly Ash, and GGBFS
Abstract: Evaluating the pozzolanic activity of specific industrial waste is crucial given the growing demand for cementitious materials. This research aims to expand the possibilities of incorporating pozzolanic waste such as Steel Slag (SS) as additives to cement. SS is a byproduct of the steel production process. A byproduct of the steelmaking process, slags have long been used as aggregates in building materials like concrete and roads. A closed-loop structure and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 341–361 Read article
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Bird-Tree Associations and Co-occurrence Patterns in Delhi: Implications for Urban Ecological Restoration and Invasive Species Management
Abstract: Urban trees and birds are intertwined indicators of ecological resilience in cities. This study maps citywide bird-tree interactions in Delhi, India, hosting more than 300 avian species. The city was divided into hexagonal grids, and bird-tree data (506 interactions) were collected through field surveys across 131 sites using standardised 1-kilometre transects. Native keystone species like ficus supported the greatest bird diversity, while invasive Prosopis juliflora was widely used for perching …
Published in Research & Reviews : Journal of Ecology · Vol. 16, Issue 2, 2026 Read article
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Adaptive Mechanisms of Rumen Microbiota to High-Fiber Diets: Mystery of Fiber Degradation and Nutrient Utilization for Improved Host Performance
Abstract: The rumen microbiota plays a critical role in the digestion of plant fibers, enabling herbivores to derive essential nutrients from fibrous feed sources. The adaptation of these microbial communities to high-fiber diets is crucial for optimizing fiber degradation and nutrient utilization. This study explores the mechanisms by which rumen microbes adjust to handle the complex structure of fibrous materials such as cellulose, hemicellulose, and lignin. Through an integrated approach, we …
Published in Research and Reviews : Journal of Dairy Science and Technology · Vol. 15, Issue 1, 2026 · pp. 7–17 Read article
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A Numerical Model to Study Effect of Potential-Dependent Influx on Calcium Diffusion in Neuron Cells
Abstract: Electrical activity within the brain rapidly encodes information about the world but for these fleeting perceptions to have a lasting impact, long-term changes in the structure and function of neurons must follow. At the synapse, neurotransmitter reception initiates a number of biochemical signaling cascades in the postsynaptic cells, one of the most important of which is the elevation of intracellular calcium. Early events induced by the rise of calcium in …
Published in Research and Reviews: A Journal of Neuroscience · Vol. 4, Issue 1, 2014 · pp. 1–8 Read article
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Discomfort Analysis in Pneumatic Grinding: Steam Generator Manufacturing Industry
Abstract: Steam generator manufacturing involves a lot of custom designed components requiring intensive fabrication activities of welding and grinding. Pneumatic grinding machines of different types are widely used in such industries as they offer flexibility and ease of use. However, the deployment of pneumatic tools are associated with hand transmitted vibration and related health issues. The present study aims to evaluate the extent of discomfort levels of operators and its relationship …
Published in Journal of Industrial Safety Engineering · Vol. 3, Issue 3, 2016 · pp. 1–10 Read article
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Integrating Co-Curricular Activities with Academic Achievement in Light of NEP 2020 and NCF-SE
Abstract: This research paper investigates the impact of co-curricular activities on the academic achievement of senior secondary students. The study emphasizes the significance of holistic development in education, where co-curricular activities (CCAs) play a vital role alongside formal academics. CCAs include a range of non-classroom engagements such as debates, music, sports, drama, arts, and community service that contribute to the cognitive, social, emotional, and physical growth of students. These activities are …
Published in International Journal of Education Sciences · Vol. 2, Issue 2, 2025 · pp. 59–66 Read article
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Novel Plant Growth Promoting Rhizobacteria from Rhizospheres of Date Palm (Phoenix dactylifera): 16S rRNA Typing and Phylogenetic Analyses Reveal their Distinct Identity
Abstract: AbstractPlant growth-promoting rhizobacteria (PGPR) comprise a large portion of soil microbiome and are essential for the growth of plants as they are capable of exhibiting a range of plant growth promoting biochemical mechanisms. Reports on rhizosphere microflora of date palm tree Phoenix dactylifera are scarce and the rhizomicrobiome of the date palm tree is expected to have microbial members that exhibit features to overcome stress due to varying conditions such …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 9, Issue 1, 2019 · pp. 11–25 Read article
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EFFECT OF BEHAVIOUR CONTROL STRATEGIES ON A DISRUPTIVE ELEMENTARY SCHOOL STUDENT: A CASE STUDY
Abstract: Disruptive behaviour in elementary schools can interfere with teaching, learning, classroom management, peer relationships and the overall school environment. Students who display persistent disruptive behaviours require carefully planned interventions that address behavioural needs while maintaining their dignity and opportunities for positive participation. The present case study examined the effectiveness of selected behaviour control strategies in reducing disruptive behaviour in a ten-year-old Grade V student who demonstrated persistent difficulties across multiple …
Published in International Journal of Children · Vol. 3, Issue 2, 2026 Read article